Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 10/20 | 0.46 |
| ▸ | DRD2 | P14416 | 8/20 | 0.46 |
| ▸ | DRD5 | P21918 | 7/20 | 0.46 |
| ▸ | DRD3 | P35462 | 7/20 | 0.46 |
| ▸ | DRD4 | P21917 | 5/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14315637 | 0.81 | HTR2A (0.55) | DRD1DRD2DRD3DRD4CHRM2 | |
| SCHEMBL2632800 | 0.81 | CHRM2 (0.42) | DRD2DRD4CHRM2HTR2AHTR2C | |
| SCHEMBL19997276 | 0.79 | DRD1 (0.49) | DRD1DRD2DRD5DRD3DRD4 | |
| SCHEMBL10311214 | 0.78 | CNR2 (0.43) | HTR2AHTR2CHTR2B | |
| SCHEMBL24729037 | 0.77 | ALDH1A1 (0.47) | DRD1DRD2DRD5DRD3DRD4 | |
| SCHEMBL8216960 | 0.77 | ALDH1A1 (0.47) | DRD1DRD2DRD5DRD3DRD4 | |
| SCHEMBL2632810 | 0.74 | HTR2A (0.41) | DRD1DRD2DRD5DRD3HTR2A | |
| SCHEMBL23484494 | 0.74 | CHRM2 (0.47) | DRD1DRD2DRD5DRD3DRD4 | |
| SCHEMBL22817021 | 0.74 | DRD1 (0.47) | DRD1DRD2DRD5DRD3DRD4 | |
| SCHEMBL93954 | 0.73 | ESR1 (0.54) | DRD1DRD2DRD5DRD3DRD4 |
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-2945943-B1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-30 | — | — | EP | disclosed |