Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | BDKRB1 | P46663 | 3/20 | 0.57 |
| ▸ | PLA2G7 | Q13093 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14075391 | 0.92 | CYP2C9 (0.67) | CYP2C9CYP1A2ALDH1A1BDKRB1PLA2G7 | |
| SCHEMBL14075327 | 0.89 | CYP2C9 (0.67) | CYP2C9CYP1A2ALDH1A1CYP2C19MCL1 | |
| SCHEMBL14075317 | 0.88 | CYP2C9 (0.69) | CYP2C9CYP1A2ALDH1A1CYP2C19MCL1 | |
| SCHEMBL14075311 | 0.87 | ALDH1A1 (0.74) | CYP2C9CYP1A2ALDH1A1LMNACYP2C19 | |
| SCHEMBL14075346 | 0.87 | CYP2C9 (0.83) | CYP2C9CYP1A2ALDH1A1LMNACYP2C19 | |
| SCHEMBL14075350 | 0.87 | CYP2C9 (0.69) | CYP2C9CYP1A2ALDH1A1CYP2C19MCL1 | |
| SCHEMBL14075400 | 0.85 | CYP2C9 (0.65) | CYP2C9CYP1A2ALDH1A1CYP2C19MCL1 | |
| SCHEMBL14087601 | 0.83 | CYP2C9 (0.63) | CYP2C9CYP1A2ALDH1A1CYP2C19MCL1 | |
| SCHEMBL14075324 | 0.82 | KDM4E (0.65) | CYP2C9CYP1A2ALDH1A1LMNACYP2C19 | |
| SCHEMBL14075353 | 0.82 | CYP2C9 (0.61) | CYP2C9CYP1A2ALDH1A1CYP2C19KDM4E |
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 |