Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10883198 | 0.91 | ESR1 (0.46) | ESR1ESR2CYP3A4ALDH1A1NR3C2 | |
| SCHEMBL27276822 | 0.82 | ESR1 (0.46) | ESR1ESR2CYP3A4ALDH1A1NR3C2 | |
| SCHEMBL7535051 | 0.81 | ESR1 (0.75) | ESR1ESR2CYP3A4ALDH1A1NR3C2 | |
| SCHEMBL6546659 | 0.80 | TP53 (0.56) | ESR1ESR2CYP3A4ALDH1A1NR3C2 | |
| SCHEMBL8992820 | 0.78 | ESR1 (0.59) | ESR1ESR2CYP3A4ALDH1A1NR3C2 | |
| SCHEMBL27969275 | 0.78 | KIF11 (0.55) | ESR1ESR2CYP3A4ALDH1A1NR3C2 | |
| SCHEMBL1773317 | 0.78 | ESR1 (0.54) | ESR1ESR2CYP3A4ALDH1A1NR3C2 | |
| (Chloromethyl)Benzene SCHEMBL4637240 | 0.78 | TP53 (0.50) | CYP3A4ALDH1A1TAAR1TSHRSLC6A2 | |
| SCHEMBL14910456 | 0.78 | ESR1 (0.70) | ESR1ESR2CYP3A4ALDH1A1NR3C2 | |
| SCHEMBL35881 | 0.78 | ESR1 (0.70) | ESR1ESR2CYP3A4ALDH1A1NR3C2 |
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-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 |
| EP-0594149-A2 | Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-04-27 | — | — | EP | disclosed |