Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2581205 | 0.79 | CYP2A6 (0.51) | GABRA1GABRG2GABRB3GABRB2SLC6A4 | |
| Water SCHEMBL17670054 | 0.79 | TAAR1 (0.50) | HPGDALDH1A1MEN1POLBMAPT | |
| SCHEMBL1019451 | 0.79 | TAAR1 (0.50) | HPGDALDH1A1MEN1POLBMAPT | |
| SCHEMBL30453664 | 0.79 | CYP2A6 (0.51) | GABRA1GABRG2GABRB3GABRB2SLC6A4 | |
| SCHEMBL24786214 | 0.76 | AR (0.41) | CYP2A6ALDH1A1GAAFFAR1 | |
| SCHEMBL3067521 | 0.76 | AMY1A (0.53) | CSNK2A1HPGDALDH1A1MEN1MAPT | |
| SCHEMBL155058 | 0.76 | CSNK2A1 (0.49) | SLC6A4HTR2AKCNH2CYP2A6CSNK2A1 | |
| SCHEMBL5642630 | 0.76 | KCNH2 (0.39) | SLC6A4HTR2AKCNH2CYP2A6CSNK2A1 | |
| SCHEMBL952178 | 0.76 | TAAR1 (0.38) | SLC6A4CYP2A6ALDH1A1MAPK1TAAR1 | |
| SCHEMBL6036428 | 0.76 | TAAR1 (0.34) | KCNH2CYP2A6CSNK2A1HPGDALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3943087-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | Celgene CAR LLC (BM) | 2022-01-26 | — | — | EP | disclosed |
| WO-2009085797-A1 | PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2009-07-09 | — | — | WO | disclosed |
| US-3944571-A | ANTIARTHRITIC | SMITHKLINE CORPORATION (US) | 1976-03-16 | — | — | US | disclosed |