Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8042926 | 0.76 | MEN1 (0.34) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL8044634 | 0.73 | CYP2A6 (0.38) | ALDH1A1 | |
| SCHEMBL12737778 | 0.72 | MAPK1 (0.41) | KDM4EALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL14379745 | 0.70 | MAPK1 (0.39) | KDM4EALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL498360 | 0.70 | MAPK1 (0.39) | KDM4EALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL20718123 | 0.68 | KDM4E (0.41) | KDM4EALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL13879207 | 0.67 | NPC1 (0.39) | KDM4EALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL8033674 | 0.67 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL12296890 | 0.66 | APP (0.43) | CYP2C9CYP2C19 | |
| SCHEMBL25968930 | 0.66 | NPC1 (0.38) | KDM4EALDH1A1CYP1A2CYP2C9HPGD |
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 |