Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 7/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | GPR142 | Q7Z601 | 2/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004102 | 0.90 | PIK3CA (0.41) | PIK3CANPC1RAB9ARIPK1HSP90AA1 | |
| SCHEMBL16003999 | 0.87 | PIK3CA (0.51) | PIK3CANPC1RIPK1GPR142MTOR | |
| SCHEMBL16003990 | 0.85 | CHRM5 (0.43) | GPR142 | |
| SCHEMBL16004303 | 0.80 | HPGD (0.49) | PIK3CANPC1RAB9ARIPK1 | |
| SCHEMBL16004306 | 0.77 | RIPK1 (0.43) | RIPK1GPR142FAAH | |
| SCHEMBL16004121 | 0.77 | RIPK1 (0.40) | PIK3CANPC1RAB9ARIPK1HSP90AA1 | |
| SCHEMBL16004308 | 0.76 | ABCB1 (0.48) | NPC1RIPK1GPR142CREBBP | |
| SCHEMBL16004141 | 0.76 | HTT (0.48) | NPC1RIPK1GPR142CTNNB1 | |
| SCHEMBL16004097 | 0.75 | GPR142 (0.47) | PIK3CARIPK1GPR142MTOR | |
| SCHEMBL16003997 | 0.75 | GPR142 (0.53) | RAB9AGPR142 |
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 |