Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | ITGB2 | P05107 | 6/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 6/20 | 0.42 |
| ▸ | ITGAL | P20701 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21433929 | 0.81 | KDM4E (0.62) | RPS6KB1AKT1CYP1A2KDM4EMAPT | |
| SCHEMBL21452765 | 0.79 | ITGB2 (0.40) | RPS6KB1CYP1A2KDM4EALDH1A1GLA | |
| SCHEMBL21452845 | 0.78 | PDE3B (0.41) | RPS6KB1CYP1A2KDM4EALDH1A1GLA | |
| SCHEMBL21452910 | 0.76 | NPC1 (0.47) | RPS6KB1AKT1CYP1A2KDM4EALDH1A1 | |
| SCHEMBL1736240 | 0.76 | KDM4E (0.64) | CYP1A2KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL12419722 | 0.73 | NOTUM (0.54) | RPS6KB1HRH4CYP3A4 | |
| SCHEMBL31038211 | 0.71 | LRRK2 (0.46) | CYP1A2KDM4EALDH1A1GLAMAPT | |
| SCHEMBL21452902 | 0.71 | FFAR4 (0.33) | CYP1A2ITGB2ICAM1ITGALCYP2C19 | |
| SCHEMBL21434109 | 0.71 | ITGB2 (0.52) | CYP1A2KDM4EALDH1A1GLAMAPT | |
| SCHEMBL31614476 | 0.71 | OGA (0.38) | CYP1A2TSHRHRH4CYP2C19LMNA |
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 |