Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.48 |
| ▸ | ITGB2 | P05107 | 5/20 | 0.46 |
| ▸ | ICAM1 | P05362 | 5/20 | 0.46 |
| ▸ | ITGAL | P20701 | 5/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 6/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21452927 | 0.90 | ITGB2 (0.47) | ITGB2ICAM1ITGALCHRM4FAAH | |
| SCHEMBL21434030 | 0.87 | KMO (0.50) | KMOITGB2ICAM1ITGALCHRM4 | |
| SCHEMBL21433969 | 0.82 | CHRM4 (0.51) | CHRM4CHRM1EPHX2 | |
| SCHEMBL21434028 | 0.81 | CHRM2 (0.47) | ITGB2ICAM1ITGALCHRM4FAAH | |
| SCHEMBL21434094 | 0.80 | CHRM2 (0.49) | ITGB2ICAM1ITGALCHRM4CHRM1 | |
| SCHEMBL21434086 | 0.80 | ITGB2 (0.57) | KMOITGB2ICAM1ITGAL | |
| SCHEMBL21452752 | 0.74 | ITGB2 (0.47) | KMOITGB2ICAM1ITGALFAAH | |
| SCHEMBL21433995 | 0.74 | MALT1 (0.47) | KMOCHRM4RXFP1CHRM1CHRM3 | |
| SCHEMBL21452774 | 0.73 | ITGB2 (0.54) | KMOITGB2ICAM1ITGAL | |
| SCHEMBL21452864 | 0.72 | KMO (0.47) | KMOITGB2ICAM1ITGALFAAH |
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 |