Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | FBP1 | P09467 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | MC5R | P33032 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8046503 | 0.85 | HSD17B10 (0.55) | CYP1A2CYP2C19CYP2D6CYP3A4MAPK1 | |
| SCHEMBL8048253 | 0.82 | ALDH1A1 (0.52) | CYP1A2CYP2C19CYP2D6CYP3A4MAPK1 | |
| SCHEMBL8044035 | 0.82 | HSD17B10 (0.51) | CYP1A2CYP2C19CYP2D6CYP3A4MAPK1 | |
| SCHEMBL8043241 | 0.81 | FBP1 (0.50) | CYP1A2CYP2C19CYP2D6CYP3A4MAPK1 | |
| SCHEMBL8032726 | 0.80 | LMNA (0.40) | MAPK1ALDH1A1HSD17B10HPGDTDP1 | |
| SCHEMBL8042757 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2C19CYP2D6CYP3A4MAPK1 | |
| SCHEMBL8044052 | 0.80 | MAPK1 (0.49) | CYP1A2CYP2C19CYP2D6CYP3A4MAPK1 | |
| SCHEMBL8050213 | 0.78 | PKM (0.44) | ALDH1A1HSD17B10HPGDSMN1; SMN2LMNA | |
| SCHEMBL8045054 | 0.78 | LMNA (0.43) | ALDH1A1HSD17B10HPGDTDP1SMN1; SMN2 | |
| SCHEMBL8033602 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2D6CYP3A4MAPK1 |
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 |