Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NNMT | P40261 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 2/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.30 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL8915748 | 0.87 | GSK3B (0.43) | NOTUMCDK1MAPKAPK2ALDH1A1USP2 | |
| SCHEMBL8917631 | 0.80 | CDC7 (0.35) | ALDH1A1GSK3BMAPK14DAO | |
| SCHEMBL8918437 | 0.73 | ALDH1A1 (0.35) | CDK1MAPKAPK2ALDH1A1USP2MAPK1 | |
| SCHEMBL24733658 | 0.70 | CDK1 (0.39) | CDK1MAPKAPK2ALDH1A1KDM4EMAPT | |
| SCHEMBL8991820 | 0.70 | RYR2 (0.33) | GSK3BMAPK14PRKD1 | |
| SCHEMBL23177730 | 0.68 | CDK1 (0.39) | CDK1MAPKAPK2ALDH1A1MAPK1HTT | |
| SCHEMBL23142246 | 0.68 | CDK1 (0.42) | CDK1MAPKAPK2ALDH1A1USP2MAPK1 | |
| SCHEMBL8918044 | 0.68 | ALDH1A1 (0.33) | ALDH1A1USP2MAPK1HTTTDP1 | |
| SCHEMBL8917854 | 0.66 | PARP1 (0.35) | ALDH1A1 | |
| SCHEMBL1393398 | 0.65 | ALDH1A1 (0.60) | ALDH1A1MAPK1HTTKDM4EMAPT |
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-5691330-A | ANTIPSYCHOTIC AGENT | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1997-11-25 | — | — | US | disclosed |
| US-5532240-A | ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1996-07-02 | — | — | US | disclosed |
| EP-0596125-A1 | CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1994-05-11 | — | — | EP | disclosed |