Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 2/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | ITGB2 | P05107 | 7/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 7/20 | 0.40 |
| ▸ | ITGAL | P20701 | 7/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | NEK2 | P51955 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21452765 | 0.89 | ITGB2 (0.40) | ITGB2ICAM1ITGALCYP1A2KDM4E | |
| SCHEMBL21433961 | 0.85 | ITGB2 (0.54) | PDE3BPDE3APDE10AITGB2ICAM1 | |
| SCHEMBL21434142 | 0.84 | TSHR (0.51) | PDE3BPDE3APDE10ACYP1A2KDM4E | |
| SCHEMBL21452764 | 0.78 | RPS6KB1 (0.45) | ITGB2ICAM1ITGALCYP1A2KDM4E | |
| SCHEMBL21433914 | 0.75 | ITGB2 (0.47) | ITGB2ICAM1ITGALKMODPP4 | |
| SCHEMBL21434102 | 0.75 | DPP4 (0.48) | ITGB2ICAM1ITGALKMODPP4 | |
| SCHEMBL21434085 | 0.75 | EPHX2 (0.44) | ITGB2ICAM1ITGALKMO | |
| SCHEMBL20782753 | 0.74 | ENPP1 (0.44) | ITGB2ICAM1ITGALCYP1A2KDM4E | |
| SCHEMBL21434147 | 0.73 | NPC1 (0.53) | ITGB2ICAM1ITGALCYP1A2KDM4E | |
| SCHEMBL21434116 | 0.73 | NPC1 (0.52) | 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 |