Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.41 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.41 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.41 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7466430 | 0.95 | CYP1A1 (0.44) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL27339262 | 0.88 | PTPRC (0.51) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL4439980 | 0.86 | PTPRC (0.45) | KDM4EALDH1A1PTPRCPTPN1PGR | |
| SCHEMBL7468946 | 0.85 | CYP11B1 (0.42) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL7467199 | 0.84 | PTGS1 (0.38) | CYP1A2CYP2C9CYP2C19EGFRMEN1 | |
| SCHEMBL357701 | 0.84 | CYP11B1 (0.40) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL7465931 | 0.83 | EGFR (0.46) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL7470994 | 0.83 | EGFR (0.46) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL5961843 | 0.82 | CYP3A4 (0.53) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL7471853 | 0.81 | ESR2 (0.39) | EGFRKDM4EALDH1A1MEN1KMT2A |
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-1244617-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-10-02 | — | — | EP | claimed |
| WO-2001047875-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-07-05 | — | — | WO | claimed |