Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8042073 | 0.72 | MAPT (0.43) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8189927 | 0.72 | CYP2A6 (0.43) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL4877279 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL2125063 | 0.67 | CYP2A6 (0.72) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL8183577 | 0.64 | CYP2A6 (0.43) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL9465032 | 0.63 | CYP2A6 (0.42) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL8044653 | 0.63 | BACE1 (0.35) | BACE1 | |
| SCHEMBL3500357 | 0.63 | CYP2A6 (0.42) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL8043972 | 0.62 | ALDH1A1 (0.45) | GSK3BTDO2 | |
| SCHEMBL8048177 | 0.62 | RAB9A (0.37) | PDGFRBPDGFRAL3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6080772-A | 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY | SUGEN, INC. (US) | 2000-06-27 | — | — | US | disclosed |