Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.31 |
| ▸ | SRD5A2 | P31213 | 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 | |
|---|---|---|---|---|
| SCHEMBL9263133 | 0.84 | CYP3A4 (0.41) | CYP3A4CYP11B2CYP11B1CYP17A1BACE1 | |
| SCHEMBL8746261 | 0.81 | KDM1A (0.47) | KDM1ACYP3A4CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL9267175 | 0.79 | KDM1A (0.44) | KDM1ACYP3A4CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL28883100 | 0.72 | KDM1A (0.57) | KDM1ACYP3A4CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL24861251 | 0.69 | KDM1A (0.54) | KDM1ACYP3A4CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL12878860 | 0.66 | KDM1A (0.57) | KDM1ASIGMAR1SRD5A1SRD5A2 | |
| SCHEMBL17542386 | 0.65 | KDM1A (0.53) | KDM1AKDM4CSIGMAR1BACE1SRD5A1 | |
| SCHEMBL8746287 | 0.63 | KDM1A (0.47) | KDM1ACYP11B2CYP11B1PGR | |
| SCHEMBL17550266 | 0.63 | KDM1A (0.54) | KDM1AKDM4CSIGMAR1SRD5A1SRD5A2 | |
| SCHEMBL29436469 | 0.63 | KDM1A (0.54) | KDM1AKDM4CSIGMAR1SRD5A1SRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0477141-B1 | Heteroarylmethylbenzols aromatase inhibitors | CIBA GEIGY AG (CH) | 1997-02-26 | — | — | EP | disclosed |
| US-5378721-A | AROMATASE INHIBITORS | CIBA-GEIGY CORPORATION (US) | 1995-01-03 | — | — | US | disclosed |
| US-5246952-A | Antitumor agents | CIBA-GEIGY CORPORATION (US) | 1993-09-21 | — | — | US | disclosed |
| EP-0477141-A1 | Heteroarylmethylbenzols aromatase inhibitors | CIBA-GEIGY AG (CH) | 1992-03-25 | — | — | EP | disclosed |