Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 4/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9447155 | 1.00 | HTR2A (0.36) | HTR2AHTR2CGRM2AOC3GAA | |
| SCHEMBL9447304 | 1.00 | HTR2A (0.36) | HTR2AHTR2CGRM2AOC3GAA | |
| SCHEMBL9447300 | 1.00 | HTR2A (0.36) | HTR2AHTR2CGRM2AOC3GAA | |
| SCHEMBL9406172 | 0.99 | HTR2A (0.36) | HTR2AHTR2CGRM2AOC3GAA | |
| SCHEMBL9406167 | 0.99 | HTR2A (0.36) | HTR2AHTR2CGRM2AOC3GAA | |
| SCHEMBL9447169 | 0.95 | HTR2A (0.37) | HTR2AHTR2CAOC3ARNOS2 | |
| SCHEMBL9447161 | 0.95 | HTR2A (0.37) | HTR2AHTR2CAOC3ARNOS2 | |
| SCHEMBL9447151 | 0.89 | HTR2A (0.38) | HTR2AHTR2CAOC3MAPTAR | |
| SCHEMBL9447144 | 0.89 | HTR2A (0.38) | HTR2AHTR2CAOC3MAPTAR | |
| SCHEMBL10708748 | 0.88 | MAPT (0.39) | GRM2GAAMAPTCNR2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5211878-A | Difluorobenzonitrile derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-05-18 | — | — | US | disclosed |