Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3811165 | 0.88 | CYP3A4 (0.41) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3809187 | 0.86 | CYP3A4 (0.40) | CYP3A4TMEM97SIGMAR1CYP1A2CYP2D6 | |
| SCHEMBL3807286 | 0.85 | CYP1A2 (0.41) | CYP3A4TMEM97SIGMAR1CYP1A2CYP2D6 | |
| SCHEMBL2876885 | 0.85 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3811092 | 0.84 | CYP3A4 (0.40) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2158053 | 0.84 | CYP3A4 (0.43) | CYP3A4PDK1TMEM97SIGMAR1CYP1A2 | |
| SCHEMBL3809003 | 0.84 | CYP3A4 (0.35) | CYP3A4PDK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3811273 | 0.83 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3807326 | 0.83 | KMT2A (0.39) | TP53TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL3809674 | 0.82 | CHRM1 (0.43) | CYP3A4PDK1 |
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 |