Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 3/20 | 0.65 |
| ▸ | GSK3B | P49841 | 2/20 | 0.59 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.59 |
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | VNN1 | O95497 | 3/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | LSS | P48449 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27932511 | 0.85 | SRD5A2 (0.86) | SRD5A2GSK3BPTPN1CES2CES1 | |
| SCHEMBL187134 | 0.84 | CES2 (0.61) | SRD5A2CES2CES1 | |
| SCHEMBL4229 | 0.84 | TAAR1 (0.54) | SRD5A2GSK3BPTPN1MAOB | |
| SCHEMBL9541276 | 0.84 | CES2 (0.61) | SRD5A2CES2CES1 | |
| SCHEMBL648641 | 0.84 | SRD5A2 (0.83) | SRD5A2GSK3BPTPN1CES2CES1 | |
| Ammonia Solution, Strong SCHEMBL28278225 | 0.82 | TAAR1 (0.52) | SRD5A2GSK3BPTPN1MAOB | |
| Hydrochloric Acid SCHEMBL27733522 | 0.82 | SRD5A2 (0.79) | SRD5A2GSK3BPTPN1CES2CES1 | |
| SCHEMBL2685467 | 0.79 | SRD5A2 (0.68) | SRD5A2GSK3BPTPN1CES2CES1 | |
| SCHEMBL2976204 | 0.79 | PTPN1 (0.55) | PTPN1CES2CES1VNN1 | |
| SCHEMBL13410662 | 0.78 | SRD5A2 (0.73) | SRD5A2GSK3BPTPN1CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| US-5753664-A | ANTITUMOR AGENTS, PYRIMIDONES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |