Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14075352 | 0.82 | KMT2A (0.68) | CYP2C9CYP1A2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL14075311 | 0.82 | ALDH1A1 (0.74) | CYP2C9CYP1A2CYP2C19ALDH1A1MEN1 | |
| SCHEMBL14075317 | 0.80 | CYP2C9 (0.69) | CYP2C9CYP1A2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL14075350 | 0.80 | CYP2C9 (0.69) | CYP2C9CYP1A2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL14075346 | 0.80 | CYP2C9 (0.83) | CYP2C9CYP1A2CYP2C19ALDH1A1MEN1 | |
| SCHEMBL14075327 | 0.79 | CYP2C9 (0.67) | CYP2C9CYP1A2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL14075400 | 0.78 | CYP2C9 (0.65) | CYP2C9CYP1A2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL14075353 | 0.77 | CYP2C9 (0.61) | CYP2C9CYP1A2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL14075321 | 0.76 | CYP2C9 (0.64) | CYP2C9CYP1A2CYP2C19ALDH1A1HPGD | |
| SCHEMBL14075397 | 0.76 | CYP2C9 (0.60) | CYP2C9CYP1A2CYP2C19ALDH1A1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7429677-B2 | Small molecule entry inhibitors | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-09-30 | — | — | US | disclosed |
| US-7429677-B2 | Small molecule entry inhibitors | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-09-30 | — | — | US | disclosed |