Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 4/20 | 0.45 |
| ▸ | ICAM1 | P05362 | 4/20 | 0.45 |
| ▸ | ITGAL | P20701 | 4/20 | 0.45 |
| ▸ | SYK | P43405 | 2/20 | 0.45 |
| ▸ | PHGDH | O43175 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | SMO | Q99835 | 1/20 | 0.40 |
| ▸ | CKS1B | P61024 | 1/20 | 0.39 |
| ▸ | SKP1 | P63208 | 1/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.39 |
| ▸ | RAF1 | P04049 | 2/20 | 0.39 |
| ▸ | BRAF | P15056 | 2/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL21434084 | 0.90 | ITGB2 (0.45) | ITGB2ICAM1ITGALSYKPHGDH | |
| SCHEMBL21434011 | 0.86 | CNR1 (0.51) | ITGB2ICAM1ITGALSYKPHGDH | |
| SCHEMBL21434012 | 0.86 | SMPD3 (0.43) | ITGB2ICAM1ITGALSYKSMPD3 | |
| SCHEMBL21452939 | 0.85 | KMO (0.43) | SYKSMPD3HRH4SMOCKS1B | |
| SCHEMBL21433955 | 0.84 | ITGB2 (0.58) | ITGB2ICAM1ITGALSYKCNR1 | |
| SCHEMBL21434103 | 0.83 | CYP11B2 (0.46) | ITGB2ICAM1ITGALSYKPHGDH | |
| SCHEMBL21433938 | 0.83 | SYK (0.45) | ITGB2ICAM1ITGALSYKPHGDH | |
| SCHEMBL21433956 | 0.82 | CNR1 (0.44) | CNR1HRH4SMOCKS1BSKP1 | |
| SCHEMBL21433904 | 0.82 | PDE4D (0.41) | SMPD3 | |
| SCHEMBL21434058 | 0.81 | SMPD3 (0.51) | ITGB2ICAM1ITGALSYKSMPD3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019193516-A2 | SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2019-10-10 | — | — | WO | disclosed |