Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11441732 | 0.88 | APP (0.40) | NPSR1MEN1KMT2AMAPTTDP1 | |
| SCHEMBL8528792 | 0.86 | ALDH1A1 (0.44) | NPSR1MEN1KMT2AMAPTCYP1A2 | |
| SCHEMBL8729761 | 0.79 | GRIN1 (0.43) | NPSR1SLC9A1ADRA1DADRA1AADRA1B | |
| SCHEMBL8733092 | 0.79 | NPSR1 (0.41) | NPSR1MEN1KMT2AL3MBTL1MAPT | |
| SCHEMBL3211338 | 0.78 | SLC9A1 (0.39) | NPSR1SLC9A1KMT2AKCNN4IRAK4 | |
| SCHEMBL8125196 | 0.76 | CYP1A2 (0.40) | MEN1KMT2AL3MBTL1MAPTMAPK1 | |
| SCHEMBL8123605 | 0.75 | RAB9A (0.46) | MEN1KMT2AL3MBTL1MAPTMAPK1 | |
| SCHEMBL5670544 | 0.75 | MEN1 (0.40) | MEN1KMT2AL3MBTL1MAPTMAPK1 | |
| SCHEMBL6189588 | 0.74 | CYP1A1 (0.51) | MEN1KMT2AL3MBTL1MAPTMAPK1 | |
| SCHEMBL8138483 | 0.73 | CYP1A2 (0.39) | ADRA1AMEN1KMT2AL3MBTL1MAPT |
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-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 |