Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.62 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29478348 | 1.00 | TSHR (0.62) | TSHRHSP90AA1HSP90AB1TP53KEAP1 | |
| Alcohol SCHEMBL28109153 | 0.96 | TSHR (0.59) | TSHRHSP90AA1HSP90AB1TP53KEAP1 | |
| SCHEMBL266244 | 0.88 | TSHR (0.58) | TSHRHSP90AA1HSP90AB1TP53KEAP1 | |
| SCHEMBL29822323 | 0.87 | TP53 (0.69) | TSHRHSP90AA1HSP90AB1TP53KEAP1 | |
| SCHEMBL610480 | 0.87 | TP53 (0.69) | TSHRHSP90AA1HSP90AB1TP53KEAP1 | |
| SCHEMBL10146384 | 0.86 | TSHR (0.53) | TSHRHSP90AA1HSP90AB1TP53KEAP1 | |
| SCHEMBL6371982 | 0.82 | KDM4E (0.64) | TSHRTP53KEAP1MAPK1ALDH1A1 | |
| SCHEMBL30337088 | 0.82 | TP53 (0.62) | TSHRTP53TDP1ALDH1A1HPGD | |
| SCHEMBL28972723 | 0.82 | TP53 (0.62) | TSHRTP53TDP1ALDH1A1HPGD | |
| SCHEMBL150008 | 0.80 | TSHR (0.75) | TSHRTP53KEAP1TDP1MAPK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 587 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11066407-B2 | Preparation of certain substituted 1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalines and pharmaceutically acceptable salts thereof | INTRA-CELLULAR THERAPIES, INC. (US) | 2021-07-20 | — | — | US | claimed |
| US-20200331904-A1 | 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2020-10-22 | — | — | US | claimed |
| EP-3720853-A1 | 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH | Bayer CropScience Aktiengesellschaft (DE) | 2020-10-14 | — | — | EP | claimed |
| CN-111448194-A | 3-amino- [1,2, 4] -triazole derivatives and their use for controlling undesired vegetation | 拜耳作物科学股份公司 | 2020-07-24 | — | — | CN | claimed |
| US-20200115380-A1 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS | INTRA-CELLULAR THERAPIES, INC. (US) | 2020-04-16 | — | — | US | claimed |
| US-10597395-B2 | Preparation of certain substituted 1-(4-fluorophenyl)-4-(2,3,6b,9,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-YL)butan-1-ones and pharmaceutically acceptable salts thereof | INTRA-CELLULAR THERAPIES, INC. (US) | 2020-03-24 | — | — | US | claimed |
| CN-110092778-A | A method of using cheap metal copper for vilazodone intermediate and vilazodone drug | 浙江工业大学 | 2019-08-06 | — | — | CN | claimed |
| US-20190218219-A1 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS | INTRA-CELLULAR THERAPIES, INC. (US) | 2019-07-18 | — | — | US | claimed |
| CN-109970705-A | A method of it is standby according to piperazine azoles intermediate and according to a piperazine azoles using cheap metal copper | 浙江工业大学 | 2019-07-05 | — | — | CN | claimed |
| WO-2019110398-A1 | 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2019-06-13 | — | — | WO | claimed |
| US-20050215794-A1 | Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2005-09-29 | — | — | US | claimed |
| US-6867298-B2 | Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2005-03-15 | — | — | US | claimed |
| US-20040204412-A1 | Phenylglycine derivatives useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-10-14 | — | — | US | claimed |
| WO-2004072101-A2 | PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-08-26 | — | — | WO | claimed |
| CN-1518534-A | Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation | 麻省理工学院 | 2004-08-04 | — | — | CN | claimed |
| US-6759554-B2 | Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2004-07-06 | — | — | US | claimed |
| EP-1390340-A1 | COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2004-02-25 | — | — | EP | claimed |
| US-20040019216-A1 | Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-01-29 | — | — | US | claimed |
| US-20030065187-A1 | Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-04-03 | — | — | US | claimed |
| WO-2002085838-A1 | COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2002-10-31 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190218219-A1 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS | CYCS, HCCS, IDH3B | TSHR 3293/4885HSP90AA1 3213/4885HSP90AB1 3249/4885 |
| US-20050215794-A1 | Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds | CBR3, ADH5, IDH1 | TSHR 3230/4885HSP90AA1 3261/4885HSP90AB1 3709/4885 |
| US-20040204412-A1 | Phenylglycine derivatives useful as serine protease inhibitors | F7, SERPINE1, HABP2 | TSHR 1647/4885HSP90AA1 2786/4885HSP90AB1 3372/4885 |
| US-20200331904-A1 | 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH | NAT1, AGXT, CYP4Z1 | TSHR 851/4885HSP90AA1 1779/4885HSP90AB1 1866/4885 |
| US-10597395-B2 | Preparation of certain substituted 1-(4-fluorophenyl)-4-(2,3,6b,9,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-YL)butan-1-ones and pharmaceutically acceptable salts thereof | CYP3A7, CYP4B1, CYP1B1 | TSHR 2852/4885HSP90AA1 4345/4885HSP90AB1 4007/4885 |
| US-20030065187-A1 | Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds | ADH5, CBR3, ALDH3A1 | TSHR 3079/4885HSP90AA1 3140/4885HSP90AB1 3649/4885 |
| US-20040019216-A1 | Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds | ADH5, CBR3, ALDH3A1 | TSHR 3079/4885HSP90AA1 3140/4885HSP90AB1 3649/4885 |
| US-11066407-B2 | Preparation of certain substituted 1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalines and pharmaceutically acceptable salts thereof | CYP2F1, CYP3A4, CYP4F2 | TSHR 2718/4885HSP90AA1 4616/4885HSP90AB1 4546/4885 |
| US-20200115380-A1 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS | HCCS, CYCS, CBR3 | TSHR 3274/4885HSP90AA1 3072/4885HSP90AB1 3182/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.