Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8763137 | 0.92 | ESR1 (0.41) | ESR1ESR2ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL105433 | 0.79 | KIF11 (0.47) | ESR1ESR2ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL10730816 | 0.78 | ESR1 (0.39) | ESR1ESR2ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL18648717 | 0.77 | ESR1 (0.36) | ESR1ESR2ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL11663553 | 0.76 | ATM (0.40) | CYP3A4KMT2ANPC1RAB9AMEN1 | |
| SCHEMBL37831 | 0.76 | — | — | |
| Benzene SCHEMBL7517467 | 0.76 | ENPP2 (0.48) | ALDH1A1CYP3A4KMT2AMEN1KDM4E | |
| SCHEMBL31402005 | 0.76 | — | — | |
| SCHEMBL1332411 | 0.76 | — | — | |
| Benzene SCHEMBL28804146 | 0.76 | ENPP2 (0.48) | ALDH1A1CYP3A4KMT2AMEN1KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1036919-C | Pyrazole condensed ring derivatives, method of manufacturing the same, and androgen inhibitor | OTSUKA PHARMA CO LTD (JP) | 1998-01-07 | — | — | CN | disclosed |
| US-5516777-A | PROSTATE CANCER THERAPY | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-05-14 | — | — | US | disclosed |
| US-5409928-A | Prostate diseases, alopecia | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-04-25 | — | — | US | disclosed |
| CN-1089609-A | Pyrazole-fused ring derivatives, its manufacture method and male hormone inhibitor | OTSUKA PHARMA CO LTD (JP) | 1994-07-20 | — | — | CN | disclosed |
| EP-0594149-A2 | Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-04-27 | — | — | EP | disclosed |