Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004307 | 0.90 | PIK3CA (0.40) | PIK3CARIPK1NPC1RAB9AGPR142 | |
| SCHEMBL16003990 | 0.89 | CHRM5 (0.43) | CHRM5CHRM1CHRM4CHRM3CHRM2 | |
| SCHEMBL16004097 | 0.85 | GPR142 (0.47) | PIK3CARIPK1GPR142 | |
| SCHEMBL16004086 | 0.83 | ALDH1A1 (0.53) | PIK3CARIPK1ALDH1A1TSHRNPC1 | |
| SCHEMBL16004095 | 0.83 | LMNA (0.43) | PIK3CARIPK1ALDH1A1CHRM5CHRM1 | |
| SCHEMBL16004254 | 0.83 | PIK3CA (0.47) | PIK3CARIPK1ALDH1A1TSHRNPC1 | |
| SCHEMBL16003999 | 0.79 | PIK3CA (0.51) | PIK3CARIPK1ALDH1A1NPC1GPR142 | |
| SCHEMBL16004091 | 0.79 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9AGPR142FAAH | |
| SCHEMBL16004297 | 0.78 | FKBP1A (0.51) | PIK3CAALDH1A1NPC1RAB9AGPR142 | |
| SCHEMBL16004317 | 0.77 | GPR142 (0.61) | ALDH1A1CHRM5CHRM1GPR142FAAH |
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 |