Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16478505 | 0.84 | NOTUM (0.48) | CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL2356727 | 0.82 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19CYP2D6MAOB | |
| SCHEMBL29891238 | 0.82 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19CYP2D6MAOB | |
| SCHEMBL30038775 | 0.82 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19CYP2D6MAOB | |
| SCHEMBL23289039 | 0.80 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19CYP2D6MAOB | |
| SCHEMBL24656152 | 0.80 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19CYP2D6MAOB | |
| SCHEMBL2095209 | 0.79 | CYP1A2 (0.63) | CYP1A2CYP2C9CYP2C19CYP2D6MAOB | |
| SCHEMBL29935703 | 0.78 | ALDH1A1 (0.59) | CYP1A2CYP2C9CYP2C19CYP2D6MAOB | |
| SCHEMBL2095969 | 0.78 | NOTUM (0.53) | CYP1A2CYP2C9CYP2C19CYP2D6MAOB | |
| SCHEMBL21819425 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19CYP2D6MAOB |
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-2020065613-A1 | MONOACYLGLYCEROL LIPASE MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2020-04-02 | — | — | WO | disclosed |