Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GPR142 | Q7Z601 | 13/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL16004275 | 0.92 | CREBBP (0.43) | CREBBPGPR142RIPK1TP53 | |
| SCHEMBL16004281 | 0.92 | CREBBP (0.39) | CREBBPGPR142RIPK1TP53RYR2 | |
| SCHEMBL16004280 | 0.91 | CREBBP (0.38) | CREBBPKMT2AGPR142RIPK1RYR2 | |
| SCHEMBL16004284 | 0.87 | GPR142 (0.42) | CREBBPGPR142RYR2FAAHCYP2D6 | |
| SCHEMBL16004075 | 0.85 | ABCC1 (0.43) | CREBBPGPR142RIPK1RYR2FAAH | |
| SCHEMBL16003951 | 0.85 | TAAR1 (0.46) | CREBBPRAB9AKMT2AGPR142RIPK1 | |
| SCHEMBL16003958 | 0.84 | CREBBP (0.56) | CREBBPRIPK1 | |
| SCHEMBL16003957 | 0.84 | GPR142 (0.45) | CREBBPNPC1RAB9AGPR142RIPK1 | |
| SCHEMBL16004289 | 0.81 | ABCC1 (0.41) | CREBBPGPR142RIPK1RYR2FAAH | |
| SCHEMBL16004245 | 0.81 | GPR142 (0.60) | NPC1RAB9AGPR142 |
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 |