Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | GPR139 | Q6DWJ6 | 4/20 | 0.35 |
| ▸ | PDE2A | O00408 | 2/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | ACP3 | P15309 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10566237 | 0.85 | CYP19A1 (0.37) | CYP19A1GPR139PDE2AACP3CASR | |
| SCHEMBL10739867 | 0.82 | GPR139 (0.40) | GPR139PDE2A | |
| SCHEMBL7091178 | 0.77 | CYP19A1 (0.39) | CES2CES1CYP19A1PDE2AACP3 | |
| SCHEMBL10360812 | 0.77 | CYP3A4 (0.36) | CYP19A1GPR139CASRCYP3A4CYP3A5 | |
| SCHEMBL10361513 | 0.76 | CYP19A1 (0.42) | CYP19A1CYP3A4ALOX5AP | |
| SCHEMBL10568094 | 0.76 | KCNH2 (0.37) | CYP19A1GPR139PDE2ACASRCYP3A4 | |
| SCHEMBL10566838 | 0.74 | CYP19A1 (0.37) | CYP19A1CASRCYP3A4CYP3A5ALOX5AP | |
| SCHEMBL10362527 | 0.73 | GSK3B (0.46) | CES2CES1CYP3A4 | |
| SCHEMBL10821169 | 0.71 | CYP17A1 (0.41) | CES2CES1CYP19A1PDE2A | |
| SCHEMBL10568059 | 0.71 | P2RX3 (0.43) | CYP19A1CASRCYP3A4CYP3A5 |
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-4833159-A | FUNGICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-23 | — | — | US | disclosed |
| US-4689337-A | 1,2,4-TRIAZOLYL AND PYRAZOLYL GROUPS; FUNGICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-08-25 | — | — | US | disclosed |
| EP-0158448-A2 | Azolyl propanols | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-10-16 | — | — | EP | disclosed |