Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 6/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | FBP1 | P09467 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | MC5R | P33032 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8711423 | 0.90 | GAA (0.37) | CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL8052354 | 0.88 | L3MBTL1 (0.46) | CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL8046507 | 0.85 | KDM4E (0.49) | CYP2D6L3MBTL1ALDH1A1HPGDTDP1 | |
| SCHEMBL8045191 | 0.85 | FBP1 (0.48) | CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL8032818 | 0.84 | HSP90AA1 (0.39) | MAPK1L3MBTL1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL8045221 | 0.84 | ALDH1A1 (0.45) | CYP2D6ALDH1A1HPGDHSD17B10NPC1 | |
| SCHEMBL8043965 | 0.84 | PDK1 (0.50) | CYP1A2MAPK1L3MBTL1CYP3A4ALDH1A1 | |
| SCHEMBL8046519 | 0.83 | HSP90AA1 (0.49) | CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL8041981 | 0.82 | FBP1 (0.50) | CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL8043551 | 0.81 | SMN1; SMN2 (0.51) | CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1 |
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 |