Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL9689911 | 1.00 | CYP2C19 (0.44) | CYP2C19L3MBTL1ALDH1A1HTTMAPT | |
| SCHEMBL9756969 | 0.84 | HCAR2 (0.50) | CYP2C19ALDH1A1HTTMAPTKDM4E | |
| SCHEMBL7268781 | 0.84 | HCAR2 (0.50) | CYP2C19ALDH1A1HTTMAPTKDM4E | |
| SCHEMBL17282892 | 0.82 | CYP2C19 (0.44) | CYP2C19ALDH1A1HTTMAPTKDM4E | |
| SCHEMBL28085691 | 0.81 | ALDH1A1 (0.43) | CYP2C19L3MBTL1ALDH1A1HTTMAPT | |
| SCHEMBL18776513 | 0.81 | ALDH1A1 (0.43) | CYP2C19L3MBTL1ALDH1A1HTTMAPT | |
| SCHEMBL27567170 | 0.79 | HSD17B10 (0.47) | ALDH1A1HTTMAPTKDM4EPOLB | |
| SCHEMBL21983480 | 0.77 | ALDH1A1 (0.36) | CYP2C19L3MBTL1ALDH1A1HTTMAPT | |
| SCHEMBL7270484 | 0.75 | CYP2C19 (0.49) | CYP2C19ALDH1A1POLBHPGDSMN1; SMN2 | |
| SCHEMBL628656 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3145512-B1 | SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS | JIANGSU HENGRUI MEDICINE CO (CN) | 2019-07-17 | — | — | EP | disclosed |
| EP-0195053-B1 | PROCESS FOR PREPARING 1,3-CYCLOHEXANEDIONE DERIVATIVES AND INTERMEDIATES THEREFOR | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1992-02-12 | — | — | EP | disclosed |
| EP-0195053-A1 | PROCESS FOR PREPARING 1,3-CYCLOHEXANEDIONE DERIVATIVES AND INTERMEDIATES THEREFOR. | CHEVRON RES & TECH (US) | 1986-09-24 | — | — | EP | disclosed |
| WO-1986002065-A1 | PROCESS FOR PREPARING 1,3-CYCLOHEXANEDIONE DERIVATIVES AND INTERMEDIATES THEREFOR | CHEVRON RESEARCH COMPANY (US) | 1986-04-10 | — | — | WO | disclosed |
| US-3989708-A | HYPOTENSIVE, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-02 | — | — | US | disclosed |