Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22163040 | 0.70 | USP2 (0.36) | CYP1A2CYP2C9CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL22162856 | 0.65 | CYP2D6 (0.33) | CYP1A2CYP2C9CYP2D6ALDH1A1 | |
| SCHEMBL16849116 | 0.65 | CYP1A2 (0.37) | CYP1A2CYP2C9CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL21028193 | 0.65 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2D6CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL30966753 | 0.61 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2D6CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL30966750 | 0.61 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL16477891 | 0.61 | — | — | |
| SCHEMBL22152972 | 0.61 | USP2 (0.36) | CYP1A2CYP2C9CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL20618117 | 0.60 | F2 (0.44) | CYP1A2CYP2D6 | |
| SCHEMBL23132207 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020132653-A1 | HETEROARYL AMIDES USEFUL AS KIF18A INHIBITORS | AMGEN INC. (US) | 2020-06-25 | — | — | WO | disclosed |