Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.51 |
| ▸ | CPA1 | P15085 | 3/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | ANPEP | P15144 | 1/20 | 0.47 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6810144 | 0.94 | KMT2A (0.52) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL6810226 | 0.94 | KMT2A (0.52) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL27581400 | 0.88 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL6625969 | 0.88 | EPHX1 (0.69) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL2658881 | 0.83 | ALDH1A1 (0.48) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| Toluene SCHEMBL28163126 | 0.83 | RAB9A (0.45) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL27581401 | 0.82 | ESR1 (0.54) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| Nitrobenzene SCHEMBL28691684 | 0.81 | AKR1C3 (0.58) | NPC1MEN1KMT2ACRHBPCRHR2 | |
| SCHEMBL599399 | 0.81 | EPHX1 (0.71) | P4HTMCPA1EPHX1CYP1A2CYP2C19 | |
| SCHEMBL67234 | 0.81 | EPHX1 (0.71) | P4HTMCPA1EPHX1CYP1A2CYP2C19 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105330630-B | Benzofuran compounds and its preparation method and application | 上海交通大学 | 2018-04-17 | — | — | CN | disclosed |
| US-9718763-B2 | Catalytic ester decarbonylation | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2017-08-01 | — | — | US | disclosed |
| US-20160194276-A1 | CATALYTIC ESTER DECARBONYLATION | REGENTS OF THE UNIVERSITY OF MINNESOTA | 2016-07-07 | — | — | US | disclosed |
| EP-0628559-B1 | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF LILLY GMBH (DE) | 2002-04-03 | — | — | EP | disclosed |
| US-5602136-A | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1997-02-11 | — | — | US | disclosed |
| US-5602137-A | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1997-02-11 | — | — | US | disclosed |
| US-5571813-A | Fused pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1996-11-05 | — | — | US | disclosed |
| EP-0628559-A1 | Pyrimidine compounds and their use as pharmaceuticals | Beiersdorf-Lilly GmbH (DE) | 1994-12-14 | — | — | EP | disclosed |
| US-4520007-A | Anti-coagulants of the 4-hydroxycoumarin type and rodenticidal compositions (baits) comprising such anti-coagulants | SHELL OIL COMPANY (US) | 1985-05-28 | — | — | US | disclosed |
| EP-0098629-A1 | Anti-coagulants of the 4-hydroxycoumarin type, the preparation thereof, and rodenticidal compositions (baits) comprising such anti-coagulants | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1984-01-18 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 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-20160194276-A1 | CATALYTIC ESTER DECARBONYLATION | DECR1, C1S, CBR3 | NPC1 2770/4885RAB9A 2853/4885SMN1; SMN2 3519/4885 |
“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.