Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | PREP | P48147 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | CYP24A1 | Q07973 | 6/20 | 0.38 |
| ▸ | CYP27A1 | Q02318 | 3/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9419768 | 0.84 | CA12 (0.43) | CA12CA1CA9PREPCYP19A1 | |
| SCHEMBL12852985 | 0.81 | CYP19A1 (0.48) | CA12CA1CA9PREPCYP19A1 | |
| SCHEMBL10042955 | 0.79 | CYP19A1 (0.58) | CA12CA1CA9PREPCYP19A1 | |
| SCHEMBL6669546 | 0.78 | CYP24A1 (0.53) | CYP19A1CYP24A1CYP27A1CYP26A1ALOX15 | |
| SCHEMBL24529065 | 0.76 | MAOB (0.48) | CA12CA1CA9PREP | |
| SCHEMBL30598686 | 0.74 | CYP26A1 (0.59) | CYP19A1CYP24A1CYP27A1CYP26A1THRA | |
| SCHEMBL20798296 | 0.74 | CYP26A1 (0.59) | CYP19A1CYP24A1CYP27A1CYP26A1THRA | |
| SCHEMBL6113027 | 0.74 | MAOB (0.50) | CA12CA1CA9PREP | |
| SCHEMBL5405281 | 0.74 | MAOB (0.50) | CA12CA1CA9PREP | |
| SCHEMBL15965361 | 0.74 | CYP19A1 (0.62) | PREPCYP19A1ALOX15ALOX12 |
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-4904661-A | ANTIESTROGENS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-02-27 | — | — | US | disclosed |
| US-4732912-A | ANTIESTROGENS, ANTITUMOR AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-03-22 | — | — | US | disclosed |
| EP-0124369-A1 | Phenol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-11-07 | — | — | EP | disclosed |