Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | ITGB2 | P05107 | 5/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 5/20 | 0.42 |
| ▸ | ITGAL | P20701 | 5/20 | 0.42 |
| ▸ | KRAS | P01116 | 1/20 | 0.41 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CKS1B | P61024 | 2/20 | 0.39 |
| ▸ | SKP1 | P63208 | 2/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 2/20 | 0.39 |
| ▸ | TAF1 | P21675 | 1/20 | 0.38 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.38 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3535002 | 0.86 | ITGB2 (0.56) | CYP1A2ITGB2ICAM1ITGALKRAS | |
| SCHEMBL3527603 | 0.83 | CNR1 (0.48) | CYP1A2ITGB2ICAM1ITGALKRAS | |
| SCHEMBL3527686 | 0.76 | CYP1A2 (0.67) | CYP1A2ITGB2ICAM1ITGALCYP2C19 | |
| SCHEMBL4622343 | 0.75 | LRRK2 (0.38) | CYP1A2ITGB2ICAM1ITGALCYP2C19 | |
| SCHEMBL8515361 | 0.72 | SMO (0.44) | CKS1BSKP1SKP2SMO | |
| SCHEMBL3532933 | 0.72 | CYP1A2 (0.43) | CYP1A2ITGB2ICAM1ITGALCYP2C19 | |
| SCHEMBL12991293 | 0.72 | ITGB2 (0.51) | CYP1A2ITGB2ICAM1ITGALCYP2C19 | |
| SCHEMBL12991342 | 0.72 | CYP1A2 (0.43) | CYP1A2ITGB2ICAM1ITGALCYP2C19 | |
| SCHEMBL2277568 | 0.72 | LCAT (0.45) | TAF1CECR2BRD9 | |
| SCHEMBL21433946 | 0.72 | ITGB2 (0.51) | CYP1A2ITGB2ICAM1ITGALKRAS |
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-1877385-A1 | PYRIMIDINES AND PYRAZINES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006119451-A1 | PYRIMIDINES AND PYRAZINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-11-09 | — | — | WO | disclosed |