Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | QPCT | Q16769 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 9/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4436042 | 0.81 | GRIN1 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C19NOS2 | |
| SCHEMBL4429082 | 0.78 | NOTUM (0.60) | MAOAMAOBALDH1A1CYP3A4MAPK1 | |
| Hydrochloric Acid SCHEMBL4435604 | 0.78 | KCNH2 (0.41) | MAOAMAOBALDH1A1USP2CYP1A2 | |
| SCHEMBL27834828 | 0.76 | MAOA (0.64) | MAOAMAOBALDH1A1USP2CYP1A2 | |
| SCHEMBL19471985 | 0.75 | CYP19A1 (0.54) | MAPK1CYP19A1KDM4E | |
| SCHEMBL4427402 | 0.75 | CYP11B1 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19CYP19A1 | |
| SCHEMBL4430530 | 0.75 | KCNH2 (0.44) | CYP19A1 | |
| Hydrochloric Acid SCHEMBL27585656 | 0.74 | CYP19A1 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19CYP19A1 | |
| Hydrochloric Acid SCHEMBL4435531 | 0.74 | CYP11B1 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL7161630 | 0.73 | IDO1 (0.56) | QPCTALDH1A1CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1358165-B1 | IMIDAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2009-03-11 | — | — | EP | disclosed |