Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 9/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 9/20 | 0.40 |
| ▸ | ITGAL | P20701 | 9/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21452845 | 0.89 | PDE3B (0.41) | ITGB2ICAM1ITGALCYP1A2KDM4E | |
| SCHEMBL21434163 | 0.85 | ITGB2 (0.55) | ITGB2ICAM1ITGALKDM4EALDH1A1 | |
| SCHEMBL21434116 | 0.84 | NPC1 (0.52) | ITGB2ICAM1ITGALCYP1A2KDM4E | |
| SCHEMBL21434106 | 0.83 | ITGB2 (0.50) | ITGB2ICAM1ITGALKMO | |
| SCHEMBL21434099 | 0.82 | ITGB2 (0.43) | ITGB2ICAM1ITGALCYP1A2KDM4E | |
| SCHEMBL21434094 | 0.79 | CHRM2 (0.49) | ITGB2ICAM1ITGALKDM4EALDH1A1 | |
| SCHEMBL21452764 | 0.79 | RPS6KB1 (0.45) | ITGB2ICAM1ITGALCYP1A2KDM4E | |
| SCHEMBL21433914 | 0.76 | ITGB2 (0.47) | ITGB2ICAM1ITGALKMODPP4 | |
| SCHEMBL21434102 | 0.76 | DPP4 (0.48) | ITGB2ICAM1ITGALKMODPP4 | |
| SCHEMBL21434147 | 0.74 | NPC1 (0.53) | ITGB2ICAM1ITGALCYP1A2KDM4E |
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 |