Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 16/20 | 0.53 |
| ▸ | ICAM1 | P05362 | 16/20 | 0.53 |
| ▸ | ITGAL | P20701 | 16/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21452935 | 0.92 | ITGB2 (0.53) | ITGB2ICAM1ITGALTRPA1CYP11B1 | |
| SCHEMBL21434008 | 0.88 | ITGB2 (0.46) | ITGB2ICAM1ITGALTRPA1DPP4 | |
| SCHEMBL21433985 | 0.88 | ITGB2 (0.46) | ITGB2ICAM1ITGALTRPA1DPP4 | |
| SCHEMBL21452604 | 0.88 | ITGB2 (0.46) | ITGB2ICAM1ITGALTRPA1DPP4 | |
| SCHEMBL21433982 | 0.88 | ITGB2 (0.46) | ITGB2ICAM1ITGALTRPA1DPP4 | |
| SCHEMBL21452347 | 0.88 | ITGB2 (0.46) | ITGB2ICAM1ITGALTRPA1DPP4 | |
| SCHEMBL21434001 | 0.86 | ITGB2 (0.58) | ITGB2ICAM1ITGALTRPA1CYP11B1 | |
| SCHEMBL21453050 | 0.85 | ITGB2 (0.59) | ITGB2ICAM1ITGALTRPA1CYP11B1 | |
| SCHEMBL21452921 | 0.84 | ITGB2 (0.55) | ITGB2ICAM1ITGALTRPA1CYP11B1 | |
| SCHEMBL21433924 | 0.83 | ITGB2 (0.46) | ITGB2ICAM1ITGALTRPA1 |
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 |