Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 5/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.40 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 4/20 | 0.38 |
| ▸ | AKT1 | P31749 | 4/20 | 0.38 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.37 |
| ▸ | ITGAL | P20701 | 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 | |
|---|---|---|---|---|
| SCHEMBL21453057 | 0.85 | RPS6KB1 (0.42) | CYP11B2CYP11B1NOTUMHRH4RPS6KB1 | |
| SCHEMBL21453065 | 0.84 | HRH4 (0.39) | CYP11B2CYP11B1NOTUMHRH4KDM4E | |
| SCHEMBL21434003 | 0.81 | FAAH (0.41) | HRH4ELOVL1KDM4EALDH1A1TP53 | |
| SCHEMBL21452865 | 0.80 | NPC1 (0.57) | CYP11B2CYP11B1HRH4KDM4EALDH1A1 | |
| SCHEMBL15117143 | 0.79 | AR (0.49) | NOTUMKIF11KDM4EALDH1A1TP53 | |
| SCHEMBL21434084 | 0.79 | ITGB2 (0.45) | CYP11B2CYP11B1HRH4KIF11ITGB2 | |
| SCHEMBL28109555 | 0.73 | TSHR (0.58) | HRH4KDM4EALDH1A1TP53MAPK1 | |
| SCHEMBL14106067 | 0.73 | MPL (0.43) | HRH4ELOVL1ALDH1A1FAAH | |
| SCHEMBL30385823 | 0.72 | KIF11 (0.53) | CYP11B2CYP11B1KIF11 | |
| SCHEMBL2383225 | 0.72 | HRH4 (0.61) | HRH4RPS6KB1 |
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 |