Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8109544 | 0.95 | SMN1; SMN2 (0.44) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8133883 | 0.93 | CYP17A1 (0.40) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8552459 | 0.88 | CYP17A1 (0.44) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8118468 | 0.87 | KCNA5 (0.45) | CYP19A1CYP3A4CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL8123208 | 0.87 | MKNK1 (0.46) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8118689 | 0.87 | KCNA5 (0.48) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8118264 | 0.87 | DGAT2 (0.39) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8550686 | 0.87 | KCNA5 (0.43) | CYP19A1CYP3A4CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL8550029 | 0.87 | CYP19A1 (0.47) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8551523 | 0.87 | CYP17A1 (0.47) | CYP19A1CYP3A4CYP17A1ALDH1A1SMN1; SMN2 |
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-0865431-A2 | COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997020815-A1 | COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-06-12 | — | — | WO | disclosed |