Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | PPARG | P37231 | 1/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 3/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | AHR | P35869 | 3/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL9275073 | 0.85 | CYP19A1 (0.47) | EPHX2PPARGCYP19A1KDM4EMAPT | |
| SCHEMBL28853829 | 0.83 | PTGS2 (0.53) | EPHX2PPARGCYP19A1CA12CA1 | |
| SCHEMBL1650589 | 0.83 | CA1 (0.51) | EPHX2PPARGCYP19A1KDM4EMAPT | |
| SCHEMBL30155019 | 0.83 | CA1 (0.51) | EPHX2PPARGCYP19A1KDM4EMAPT | |
| SCHEMBL5918472 | 0.82 | CYP19A1 (0.55) | EPHX2PPARGCYP19A1KDM4EMAPT | |
| SCHEMBL10753454 | 0.79 | NFATC1 (0.61) | EPHX2PPARGCYP19A1KDM4EMAPT | |
| Sulfuric Acid SCHEMBL1491064 | 0.79 | CA1 (0.48) | EPHX2PPARGCYP19A1KDM4EMAPT | |
| Sulfuric Acid SCHEMBL9705330 | 0.79 | CYP19A1 (0.51) | EPHX2PPARGCYP19A1KDM4EMAPT | |
| SCHEMBL27955199 | 0.76 | CYP19A1 (0.46) | EPHX2PPARGCYP19A1KDM4EMAPT | |
| SCHEMBL9772878 | 0.76 | HDAC1 (0.48) | EPHX2PPARGCYP19A1KDM4EMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5583149-A | TREATING VASCULAR HEADACHES | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-10 | — | — | US | disclosed |
| US-5468768-A | FOR TREATING VASCULAR HEADACHES | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-11-21 | — | — | US | disclosed |
| EP-0666258-A1 | Indolylcycloaklanylamin- und Indolylcycloalkenylamine derivatives, their preparation and their use as anti-migraine agents | Bristol-Myers Squibb Company (US) | 1995-08-09 | — | — | EP | disclosed |