Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL9202618 | 0.88 | GPR3 (0.38) | NPC1MAPK1RAB9APDK2PPARA | |
| SCHEMBL5893292 | 0.85 | GPR3 (0.38) | PDK2PPARANR1H2NR1H3 | |
| SCHEMBL983253 | 0.78 | NR1H2 (0.34) | PPARANR1H2NR1H3 | |
| SCHEMBL15067982 | 0.75 | TRPA1 (0.39) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL2817250 | 0.73 | MGLL (0.38) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL1371003 | 0.73 | TP53 (0.43) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL7154087 | 0.72 | NPC1 (0.37) | NPC1MAPTRAB9ACYP1A2CYP2A6 | |
| SCHEMBL8729219 | 0.72 | L3MBTL1 (0.38) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL15067323 | 0.72 | CNR1 (0.42) | PDK2 | |
| SCHEMBL6704515 | 0.71 | PPARA (0.41) | ALDH1A1PDK2PPARACSNK2A2CSNK2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1345942-A2 | PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS | Bristol-Myers Squibb Pharma Company (US) | 2003-09-24 | — | — | EP | claimed |
| WO-2002059127-A2 | PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-08-01 | — | — | WO | claimed |
| EP-1345942-A2 | PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS | Bristol-Myers Squibb Pharma Company (US) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002059127-A2 | PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-08-01 | — | — | WO | disclosed |