Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 2/20 | 0.39 |
| ▸ | GPR142 | Q7Z601 | 15/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004276 | 0.92 | CREBBP (0.40) | CREBBPGPR142RIPK1TP53RYR2 | |
| SCHEMBL16004275 | 0.91 | CREBBP (0.43) | CREBBPGPR142RIPK1TP53 | |
| SCHEMBL16004280 | 0.89 | CREBBP (0.38) | CREBBPGPR142RIPK1RYR2 | |
| SCHEMBL16003951 | 0.83 | TAAR1 (0.46) | CREBBPGPR142RIPK1TP53 | |
| SCHEMBL16003958 | 0.83 | CREBBP (0.56) | CREBBPRIPK1 | |
| SCHEMBL16003957 | 0.83 | GPR142 (0.45) | CREBBPGPR142RIPK1 | |
| SCHEMBL16004284 | 0.81 | GPR142 (0.42) | CREBBPGPR142RYR2CYP2D6 | |
| SCHEMBL16004245 | 0.80 | GPR142 (0.60) | GPR142 | |
| SCHEMBL16004279 | 0.80 | ALDH1A1 (0.46) | GPR142RYR2 | |
| SCHEMBL16004413 | 0.80 | CREBBP (0.43) | CREBBPGPR142RIPK1RYR2CYP2D6 |
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-2014133414-A2 | HETEROCYCLIC TGR5 BILE ACID RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR THE PRODUCTION AND USE THEREOF | АЛЛА ХЕМ ЛЛС (US) | 2014-09-04 | — | — | WO | disclosed |