Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TOP1 | P11387 | 1/20 | 0.31 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.30 |
| ▸ | PRMT6 | Q96LA8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7465724 | 0.74 | KIF11 (0.41) | ENPP1 | |
| SCHEMBL7704882 | 0.72 | KDM4E (0.37) | ENPP1PTGS2IDO1 | |
| SCHEMBL7701995 | 0.71 | CYP11B1 (0.37) | CYP2A6 | |
| SCHEMBL7702032 | 0.71 | AR (0.46) | ENPP1 | |
| SCHEMBL7702101 | 0.70 | TOP1 (0.35) | CYP2A6CYP2B6CYP2E1ENPP1KCNH2 | |
| SCHEMBL5924659 | 0.69 | CYP2A6 (0.56) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL7704658 | 0.68 | ERN1 (0.40) | KCNH2CCNE2CCNE1CDK2 | |
| SCHEMBL11287918 | 0.67 | MAP4K4 (0.45) | CYP3A4CYP2C9CYP2C19IDO1 | |
| SCHEMBL7699908 | 0.67 | AHR (0.45) | — | |
| SCHEMBL27810932 | 0.67 | MPL (0.50) | CYP2A6CYP2B6CYP2E1KCNH2PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1242399-A1 | $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB S.A. (BE) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001046167-A1 | α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB, S.A. (BE) | 2001-06-28 | — | — | WO | disclosed |