Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | WDR5 | P61964 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL171875 | 0.79 | LMNA (0.47) | MAOBMAOACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1622891 | 0.78 | AKR1C1 (0.47) | MAOBMAOAHSD11B1 | |
| Hydrochloric Acid SCHEMBL435506 | 0.78 | OPRM1 (0.46) | MAOBMAOACYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL28933139 | 0.77 | AKR1C1 (0.45) | MAOBMAOAHSD11B1 | |
| SCHEMBL23972282 | 0.76 | ADRA2A (0.40) | IDO1SPHK2SPHK1 | |
| SCHEMBL23972810 | 0.75 | MAOA (0.46) | MAOBMAOAIDO1OPRM1OPRL1 | |
| Acetic Acid SCHEMBL17102034 | 0.74 | NQO2 (0.43) | CYP3A4CYP2C9HSD11B1OPRM1MAPT | |
| SCHEMBL2701195 | 0.73 | MAPT (0.46) | MAPTTDP1 | |
| SCHEMBL5379326 | 0.72 | HSD11B1 (0.45) | CYP3A4CYP2D6CYP2C9HSD11B1OPRM1 | |
| SCHEMBL351393 | 0.72 | AKR1C1 (0.55) | CYP3A4CYP2D6CYP2C9HSD11B1OPRM1 |
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-2021221169-A1 | PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS | RAQUALIA PHARMA INC. (JP) | 2021-11-04 | — | — | WO | disclosed |