Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 5/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 4/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.53 |
| ▸ | SCN5A | Q14524 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7386328 | 0.96 | ABCB11 (0.54) | ABCB11CYP2C9KDM4ECYP3A4CYP1A2 | |
| SCHEMBL7376285 | 0.94 | ABCB11 (0.44) | ABCB11CYP2C9KDM4ECYP3A4CYP1A2 | |
| SCHEMBL7381882 | 0.93 | CYP2C9 (0.58) | ABCB11CYP2C9KDM4ECYP3A4CYP1A2 | |
| SCHEMBL7376083 | 0.90 | ABCB11 (0.45) | ABCB11CYP2C9KDM4ECYP3A4CYP1A2 | |
| SCHEMBL7383854 | 0.90 | CYP2C9 (0.55) | ABCB11CYP2C9KDM4ECYP3A4CYP1A2 | |
| SCHEMBL7389403 | 0.88 | ABCB11 (0.54) | ABCB11CYP2C9KDM4ECYP3A4CYP1A2 | |
| SCHEMBL7385239 | 0.88 | CYP2C9 (0.52) | ABCB11CYP2C9KDM4ECYP3A4CYP1A2 | |
| SCHEMBL7381103 | 0.87 | ABCB11 (0.48) | ABCB11CYP2C9KDM4ECYP3A4CYP1A2 | |
| SCHEMBL7384336 | 0.86 | CYP2C9 (0.51) | ABCB11CYP2C9KDM4ECYP3A4CYP1A2 | |
| SCHEMBL7380654 | 0.85 | CYP2C9 (0.55) | ABCB11CYP2C9KDM4ECYP3A4CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4889866-A | CARDIOVASCULAR DISEASES, HYPOTENSIVE AGENTS, CONGESTIVE HEART FAILURE | SYNTEX (U.S.A.) INC. (US) | 1989-12-26 | — | — | US | disclosed |