Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8713667 | 1.00 | NPSR1 (0.45) | NPSR1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL8129328 | 0.80 | FBP1 (0.54) | NPSR1CYP3A4ALDH1A1SMN1; SMN2ATM | |
| SCHEMBL7877115 | 0.77 | CYP1A2 (0.55) | NPSR1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9694661 | 0.76 | ALDH1A1 (0.48) | NPSR1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL8708324 | 0.76 | ALDH1A1 (0.43) | NPSR1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL8708326 | 0.76 | ALDH1A1 (0.43) | NPSR1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL30615664 | 0.74 | ALDH1A1 (0.61) | NPSR1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9384516 | 0.74 | ALDH1A1 (0.61) | NPSR1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9384512 | 0.74 | ALDH1A1 (0.61) | NPSR1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9733114 | 0.72 | ALDH1A1 (0.46) | NPSR1CYP1A2CYP2C9CYP2C19CYP3A4 |
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-1998001430-A1 | NITROALKYL-SUBSTITUTED PYRIMIDINYL OR TRIAZINYL (OXY, THIO, METHYL) PHENYL OR PYRIDINYL DERIVATIVES, THEIR PRODUCTION AND USE AS HERBICIDES OR PLANT GROWTH REGULATORS | HOECHST SCHERING AGREVO GMBH (DE) | 1998-01-15 | — | — | WO | disclosed |