Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.66 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | SQSTM1 | Q13501 | 1/20 | 0.56 |
| ▸ | METAP2 | P50579 | 3/20 | 0.56 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.56 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.55 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL5955445 | 0.94 | CYP2C9 (0.84) | CYP2C9CYP1A2KEAP1NFE2L2CYP2C19 | |
| SCHEMBL14075311 | 0.91 | ALDH1A1 (0.74) | CYP2C9CYP1A2KEAP1NFE2L2CYP2C19 | |
| SCHEMBL3512984 | 0.89 | CYP2C9 (0.90) | CYP2C9CYP1A2KEAP1NFE2L2CYP2C19 | |
| SCHEMBL14075367 | 0.89 | CYP2C9 (0.73) | CYP2C9CYP1A2KEAP1NFE2L2CYP2C19 | |
| SCHEMBL14075371 | 0.89 | CYP2C9 (0.63) | CYP2C9CYP1A2KEAP1NFE2L2CYP2C19 | |
| SCHEMBL12200967 | 0.88 | CYP2C9 (0.76) | CYP2C9CYP1A2KEAP1NFE2L2CYP2C19 | |
| SCHEMBL7322109 | 0.88 | METAP2 (0.73) | CYP2C9CYP1A2KEAP1NFE2L2CYP2C19 | |
| SCHEMBL10249221 | 0.87 | ACLY (0.67) | KEAP1NFE2L2ALDH1A1METAP2 | |
| SCHEMBL14075392 | 0.87 | CYP2C9 (0.70) | CYP2C9CYP1A2KEAP1NFE2L2CYP2C19 | |
| SCHEMBL3514014 | 0.87 | CYP2C9 (0.77) | CYP2C9CYP1A2KEAP1NFE2L2CYP2C19 |
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 |