Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.48 |
| ▸ | AGER | Q15109 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TGM2 | P21980 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8151807 | 0.78 | PYCR1 (0.64) | PYCR1AGERCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL15295135 | 0.75 | TAAR1 (0.61) | TAAR1MAPTRAB9AHTR2A | |
| SCHEMBL2759494 | 0.74 | PYCR1 (0.48) | PYCR1AGERCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6897106 | 0.74 | PYCR1 (0.54) | PYCR1AGERCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL18403997 | 0.74 | ALDH1A1 (0.50) | MEN1KMT2AMAPT | |
| SCHEMBL6979704 | 0.74 | IDO1 (0.56) | PYCR1AGERCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17758250 | 0.74 | PLA2G1B (0.52) | CYP2D6CYP2C19TAAR1LMNAL3MBTL1 | |
| SCHEMBL21033500 | 0.74 | LMNA (0.52) | TAAR1LMNAL3MBTL1MEN1KMT2A | |
| SCHEMBL20630777 | 0.74 | KDM4E (0.54) | TAAR1MAPT | |
| SCHEMBL3524593 | 0.74 | IDO1 (0.56) | PYCR1AGERCYP1A2CYP2D6CYP2C19 |
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-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |