Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.49 |
| ▸ | UGT1A4 | P22310 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10700783 | 0.89 | CYP19A1 (0.41) | CYP19A1UGT1A4PDE4DKDM4ETDP1 | |
| SCHEMBL9248479 | 0.83 | GABRA1 (0.41) | CYP19A1UGT1A4PDE4DKDM4ETDP1 | |
| SCHEMBL28381262 | 0.83 | CYP19A1 (0.51) | CYP19A1UGT1A4PDE4DESR1ESR2 | |
| SCHEMBL13265761 | 0.81 | CYP19A1 (0.54) | CYP19A1UGT1A4PDE4DESR1ESR2 | |
| SCHEMBL2258695 | 0.79 | CYP19A1 (0.49) | CYP19A1UGT1A4PDE4DESR1ESR2 | |
| SCHEMBL3173073 | 0.79 | CYP19A1 (0.49) | CYP19A1UGT1A4PDE4DESR1ESR2 | |
| SCHEMBL12123247 | 0.79 | CYP19A1 (0.49) | CYP19A1UGT1A4PDE4DESR1ESR2 | |
| SCHEMBL936470 | 0.79 | CYP19A1 (0.49) | CYP19A1UGT1A4PDE4DESR1ESR2 | |
| SCHEMBL4958516 | 0.79 | CYP19A1 (0.49) | CYP19A1UGT1A4PDE4DESR1ESR2 | |
| SCHEMBL8069078 | 0.76 | CYP19A1 (0.46) | CYP19A1UGT1A4PDE4D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE36617-E | Anastrozole and salts as anticancer agent | ZENECA LIMITED (GB) | 2000-03-14 | — | — | US | disclosed |
| EP-0296749-B1 | (Substituted aralkyl) heterocyclic compounds | ZENECA LTD (GB) | 1994-10-26 | — | — | EP | disclosed |
| US-4935437-A | (Substituted aralkyl) heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-06-19 | — | — | US | disclosed |
| EP-0296749-A1 | (Substituted aralkyl) heterocyclic compounds | ZENECA LIMITED (GB) | 1988-12-28 | — | — | EP | disclosed |