Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22288457 | 0.89 | TAAR1 (0.42) | TAAR1CYP1A2CYP2C9CYP2C19IDO1 | |
| SCHEMBL8422000 | 0.86 | TAAR1 (0.43) | TAAR1CYP1A2CYP2C9CYP2C19IDO1 | |
| SCHEMBL2209260 | 0.80 | TAAR1 (0.46) | TAAR1CYP1A2CYP2C9CYP2C19IDO1 | |
| SCHEMBL5525874 | 0.80 | TAAR1 (0.46) | TAAR1CYP1A2CYP2C9CYP2C19IDO1 | |
| SCHEMBL28446797 | 0.80 | CYP1A2 (0.45) | TAAR1CYP1A2CYP2C9CYP2C19IDO1 | |
| SCHEMBL2208037 | 0.80 | CYP1A2 (0.60) | CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL2208174 | 0.80 | MEN1 (0.44) | TAAR1CYP1A2CYP2C9CYP2C19IDO1 | |
| SCHEMBL7984462 | 0.77 | ALDH1A1 (0.46) | TAAR1CYP1A2CYP2C9CYP2C19IDO1 | |
| SCHEMBL2209422 | 0.75 | ALDH1A1 (0.44) | CYP1A2CYP2C9CYP2C19CYP2D6KDM1A | |
| SCHEMBL11661563 | 0.74 | HSPA5 (0.59) | TAAR1CYP1A2CYP2C9CYP2C19IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107188821-A | A kind of method that precious metal catalyst halogenated aryl hydrocarbon, amine and carbon monoxide carbonylation prepare acid amides | 福州大学 | 2017-09-22 | — | — | CN | disclosed |