Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 2/20 | 0.43 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.42 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL8993194 | 0.80 | PLA2G2A (0.44) | LMNAALDH1A1HSP90AA1 | |
| SCHEMBL8992766 | 0.77 | LTA4H (0.46) | KDRALDH1A1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL8993005 | 0.75 | LTA4H (0.49) | CHEK2GPR52RIPK2LTB4R | |
| SCHEMBL8992794 | 0.71 | ALDH1A1 (0.43) | LMNAKDRALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL8992809 | 0.70 | HSP90AB1 (0.41) | KDRALDH1A1CYP3A4RETHSP90AA1 | |
| SCHEMBL8992896 | 0.70 | MPO (0.47) | CHEK2LTB4RALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL108109 | 0.70 | TAAR1 (0.62) | ALDH1A1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL8993151 | 0.69 | CYP3A4 (0.57) | ALDH1A1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL109195 | 0.68 | TAAR1 (0.64) | ALDH1A1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL11459812 | 0.67 | ALDH1A1 (0.67) | LMNAALDH1A1CYP3A4CYP1A2CYP2C19 |
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 |