Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17324591 | 0.82 | FGFR1 (0.42) | HPGDFGFR1SRCCHRNB2CHRNA4 | |
| SCHEMBL21947201 | 0.81 | HPGD (0.41) | HPGDMEN1KMT2AFGFR1SRC | |
| SCHEMBL15881956 | 0.81 | KDM4E (0.43) | HPGDMEN1KMT2AFGFR1SRC | |
| SCHEMBL20250795 | 0.81 | THRA (0.49) | ESR1THRATHRB | |
| SCHEMBL15882563 | 0.80 | HPGD (0.52) | HPGDMEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL17321454 | 0.78 | KDM4E (0.41) | HPGDFGFR1SRCHRH3CYP1A2 | |
| SCHEMBL19997282 | 0.78 | ROCK2 (0.44) | HPGDHRH3KEAP1NFE2L2CYP1A2 | |
| SCHEMBL19675308 | 0.76 | ESR1 (0.37) | HPGDHRH3ESR1DRD2DRD1 | |
| SCHEMBL19675109 | 0.75 | L3MBTL1 (0.43) | HRH3CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL24247786 | 0.68 | NR1I2 (0.39) | HPGDMEN1KMT2ADRD2DRD1 |
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-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |