Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.38 |
| ▸ | LTK | P29376 | 2/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.38 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL544598 | 0.80 | MAP4K4 (0.48) | ALDH1A1SMN1; SMN2TNK2MAP4K4LTK | |
| SCHEMBL1247672 | 0.76 | KIF11 (0.48) | MAP4K4CDK5NPC1RAB9AJAK2 | |
| SCHEMBL625013 | 0.74 | MKNK1 (0.50) | ALDH1A1ESR1CYP3A4ESR2SMN1; SMN2 | |
| SCHEMBL20263708 | 0.74 | ALDH1A1 (0.59) | ALDH1A1ESR1CYP3A4ESR2SMN1; SMN2 | |
| SCHEMBL8993116 | 0.73 | LTA4H (0.45) | CYP3A4TNK2MAP4K4LTKMAPK8 | |
| SCHEMBL7901581 | 0.73 | MAOA (0.37) | ALDH1A1CYP3A4TNK2MAP4K4LTK | |
| SCHEMBL3724188 | 0.73 | KDR (0.46) | ALDH1A1CYP3A4SMN1; SMN2LTKDYRK1B | |
| SCHEMBL6456244 | 0.72 | ESR1 (0.65) | ALDH1A1ESR1CYP3A4ESR2SMN1; SMN2 | |
| SCHEMBL18913698 | 0.70 | ESR1 (0.62) | ALDH1A1ESR1CYP3A4ESR2SMN1; SMN2 | |
| SCHEMBL17619924 | 0.70 | MAPK14 (0.49) | ALDH1A1TNK2MAP4K4LTKMAPK8 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0594149-A2 | Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-04-27 | — | — | EP | disclosed |