Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19707007 | 0.83 | CYP2A6 (0.52) | CYP2A6LOXL2MAOBRAB9ANPC1 | |
| SCHEMBL649272 | 0.82 | IDO1 (0.44) | — | |
| SCHEMBL11957475 | 0.80 | HDAC8 (0.34) | MAOBCA12CA2CA9CA14 | |
| SCHEMBL20698647 | 0.80 | GLA (0.37) | CYP2A6LOXL2MAOBKCNH2TACR1 | |
| SCHEMBL7290214 | 0.79 | MAOB (0.49) | CYP2A6LOXL2MAOBRAB9ANPC1 | |
| SCHEMBL8377688 | 0.79 | MAOB (0.49) | CYP2A6LOXL2MAOBRAB9ANPC1 | |
| SCHEMBL800275 | 0.78 | GLA (0.54) | MAOBMAOACYP19A1TACR1MRGPRX1 | |
| SCHEMBL2608936 | 0.77 | CYP2A6 (0.48) | CYP2A6LOXL2MAOBRAB9ANPC1 | |
| SCHEMBL993599 | 0.77 | CYP2A6 (0.58) | CYP2A6LOXL2MAOBRAB9ANPC1 | |
| SCHEMBL5319832 | 0.77 | CYP2A6 (0.41) | CYP2A6LOXL2MAOBRAB9ANPC1 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210292285-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC (US) | 2021-09-23 | — | — | US | disclosed |
| WO-2021147818-A1 | 5-HT2A RECEPTOR ANTAGONIST AND APPLICATION THEREOF IN TREATING CENTRAL NERVOUS SYSTEM DISEASES | 瀚远医药有限公司 | 2021-07-29 | — | — | WO | disclosed |
| WO-2021146629-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC. (US) | 2021-07-22 | — | — | WO | disclosed |
| US-11028090-B2 | [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient | DONG WHA PHARM. CO., LTD. (KR) | 2021-06-08 | — | — | US | disclosed |
| US-11028058-B2 | Heterocyclic compounds as adenosine antagonists | NUVATION BIO INC. (US) | 2021-06-08 | — | — | US | disclosed |
| US-10807951-B2 | mTORC1 modulators | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2020-10-20 | — | — | US | disclosed |
| US-20200231570-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) | 2020-07-23 | — | — | US | disclosed |
| US-20200039984-A1 | Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2020-02-06 | — | — | US | disclosed |
| US-20190112268-A1 | mTORC1 MODULATORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2019-04-18 | — | — | US | disclosed |
| WO-2019075386-A1 | MTORC1 MODULATORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2019-04-18 | — | — | WO | disclosed |
| US-20080027095-A1 | Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases | MERCK SHARP & DOHME CORP. | 2008-01-31 | — | — | US | disclosed |
| US-20080027095-A1 | Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases | MERCK SHARP & DOHME CORP. | 2008-01-31 | — | — | US | disclosed |
| EP-1027316-B1 | SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO | MASSACHUSETTS INST TECHNOLOGY (US) | 2003-05-21 | — | — | EP | disclosed |
| EP-1254884-A2 | Preparation of vinyl ethers from alcohols and alkenes | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2002-11-06 | — | — | EP | disclosed |
| EP-1245553-A2 | Palladium-catalysed synthesis of aryl ethers | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2002-10-02 | — | — | EP | disclosed |
| US-20010008942-A1 | Synthesis of aryl ethers | BUCHWALD STEPHEN L (US) | 2001-07-19 | — | — | US | disclosed |
| US-6166226-A | Synthesis of aryl ethers | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2000-12-26 | — | — | US | disclosed |
| EP-1027316-A1 | SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2000-08-16 | — | — | EP | disclosed |
| US-5847166-A | Synthesis of aryl ethers | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1998-12-08 | — | — | US | disclosed |
| WO-1998015515-A1 | SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1998-04-16 | — | — | WO | 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 (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-11028090-B2 | [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient | BRD4, BET1, BRD3 | CYP2A6 4464/4885LOXL2 2034/4885MAOB 4364/4885 |
| US-20200039984-A1 | Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient | BRD4, BET1, BRD3 | CYP2A6 4575/4885LOXL2 1949/4885MAOB 4418/4885 |
| US-20010008942-A1 | Synthesis of aryl ethers | AHR, PAH, PDK1 | CYP2A6 201/4885LOXL2 2281/4885MAOB 215/4885 |
| US-20080027095-A1 | Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases | MRGPRX1, MRGPRX2, MRGPRX4 | CYP2A6 3249/4885LOXL2 1046/4885MAOB 3074/4885 |
| US-11028058-B2 | Heterocyclic compounds as adenosine antagonists | ADORA2A, ADORA3, ADORA1 | CYP2A6 3215/4885LOXL2 3746/4885MAOB 1655/4885 |
| US-20200231570-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | ADORA2A, ADORA3, ADORA1 | CYP2A6 3215/4885LOXL2 3746/4885MAOB 1655/4885 |
| US-20210292285-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | ADORA2A, ADORA3, ADORA1 | CYP2A6 3215/4885LOXL2 3746/4885MAOB 1655/4885 |
| US-20190112268-A1 | mTORC1 MODULATORS | MTOR, RPTOR, RICTOR | CYP2A6 4716/4885LOXL2 3605/4885MAOB 4707/4885 |
| US-10807951-B2 | mTORC1 modulators | MTOR, RPTOR, RICTOR | CYP2A6 4716/4885LOXL2 3605/4885MAOB 4707/4885 |
“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.