Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | DRD3 | P35462 | 3/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | BMP4 | P12644 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20229603 | 0.76 | ALDH1A1 (0.36) | ESR1DRD2DRD3DRD1DRD4 | |
| SCHEMBL15882563 | 0.76 | HPGD (0.52) | POLBGAAHPGDKDM4EALDH1A1 | |
| SCHEMBL19675467 | 0.76 | HPGD (0.40) | ESR1DRD2DRD3DRD1DRD4 | |
| SCHEMBL17324591 | 0.71 | FGFR1 (0.42) | ESR1POLBHRH3HPGDKDM4E | |
| SCHEMBL21947201 | 0.70 | HPGD (0.41) | ESR1DRD2DRD3DRD1DRD4 | |
| SCHEMBL15882086 | 0.70 | ALDH1A1 (0.42) | GAAHPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL15881956 | 0.70 | KDM4E (0.43) | BCHEACHEPOLBHRH3HPGD | |
| SCHEMBL17437850 | 0.68 | ALDH1A1 (0.46) | GAAHPGDKDM4EALDH1A1 | |
| SCHEMBL19997282 | 0.68 | ROCK2 (0.44) | POLBHRH3HPGDKDM4EALDH1A1 | |
| SCHEMBL17321454 | 0.68 | KDM4E (0.41) | POLBHRH3HPGDKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |