Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 14/20 | 0.54 |
| ▸ | ICAM1 | P05362 | 14/20 | 0.54 |
| ▸ | ITGAL | P20701 | 14/20 | 0.54 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21434001 | 0.87 | ITGB2 (0.58) | ITGB2ICAM1ITGALRPS6KB1TRPA1 | |
| SCHEMBL21433914 | 0.86 | ITGB2 (0.47) | ITGB2ICAM1ITGALRPS6KB1TRPA1 | |
| SCHEMBL21452752 | 0.84 | ITGB2 (0.47) | ITGB2ICAM1ITGALRPS6KB1TRPA1 | |
| SCHEMBL21452927 | 0.84 | ITGB2 (0.47) | ITGB2ICAM1ITGALRPS6KB1TRPA1 | |
| SCHEMBL21452935 | 0.82 | ITGB2 (0.53) | ITGB2ICAM1ITGALTRPA1DPP4 | |
| SCHEMBL21453051 | 0.81 | ITGB2 (0.49) | ITGB2ICAM1ITGALRPS6KB1TRPA1 | |
| SCHEMBL21452867 | 0.81 | ITGB2 (0.53) | ITGB2ICAM1ITGALTRPA1DPP4 | |
| SCHEMBL21452865 | 0.81 | NPC1 (0.57) | ITGB2ICAM1ITGALRPS6KB1CYP1A2 | |
| SCHEMBL21452921 | 0.80 | ITGB2 (0.55) | ITGB2ICAM1ITGALTRPA1KMO | |
| SCHEMBL21453050 | 0.80 | ITGB2 (0.59) | ITGB2ICAM1ITGALTRPA1KIF11 |
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 |