Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | CTSA | P10619 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | OXTR | P30559 | 1/20 | 0.31 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.31 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | SRC | P12931 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2157537 | 0.88 | ALDH1A1 (0.33) | CYP3A4ALDH1A1CNR1MRGPRX4MAPT | |
| SCHEMBL3809003 | 0.83 | CYP3A4 (0.35) | CYP3A4ALDH1A1TSHRPDK1MAPT | |
| SCHEMBL3812070 | 0.82 | CYP3A4 (0.43) | CYP3A4ALDH1A1TSHRPDK1MAPT | |
| SCHEMBL3811167 | 0.81 | NPC1 (0.34) | CYP3A4ALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL6426834 | 0.79 | EIF4E (0.34) | CYP3A4ALDH1A1F10CTSACNR1 | |
| SCHEMBL6426828 | 0.79 | RORB (0.37) | CYP3A4ALDH1A1TSHRPDK1MAPT | |
| SCHEMBL3811165 | 0.77 | CYP3A4 (0.41) | CYP3A4TSHRCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3811273 | 0.76 | CYP3A4 (0.39) | CYP3A4ALDH1A1TSHROXTRMAPT | |
| SCHEMBL2876885 | 0.76 | CYP3A4 (0.39) | CYP3A4ALDH1A1TSHROXTRAVPR1A | |
| SCHEMBL3809187 | 0.76 | CYP3A4 (0.40) | CYP3A4ALDH1A1TSHRMAPTCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1401825-B1 | THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION | VIROCHEM PHARMA INC (CA) | 2009-08-05 | — | — | EP | claimed |