Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 4/20 | 0.46 |
| ▸ | GPR142 | Q7Z601 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ME2 | P23368 | 1/20 | 0.37 |
| ▸ | ME1 | P48163 | 1/20 | 0.37 |
| ▸ | ME3 | Q16798 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | MOGAT2 | Q3SYC2 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ABCC1 | P33527 | 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 | |
|---|---|---|---|---|
| SCHEMBL16004304 | 0.91 | RIPK1 (0.43) | RIPK1GPR142ALDH1A1POLBME2 | |
| SCHEMBL16003975 | 0.90 | ABCB1 (0.46) | RIPK1GPR142ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL16003981 | 0.80 | PIK3CA (0.44) | RIPK1GPR142KMT2A | |
| SCHEMBL16004308 | 0.79 | ABCB1 (0.48) | RIPK1GPR142ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL16004306 | 0.79 | RIPK1 (0.43) | RIPK1GPR142ALDH1A1CHRM1ME2 | |
| SCHEMBL16003983 | 0.78 | GAA (0.43) | RIPK1ALDH1A1KMT2A | |
| SCHEMBL16004136 | 0.78 | GPR142 (0.46) | RIPK1GPR142ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL16004248 | 0.77 | ABCB1 (0.50) | RIPK1GPR142ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL16003984 | 0.76 | MAPT (0.47) | RIPK1GPR142ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL16004091 | 0.76 | ALDH1A1 (0.48) | GPR142ALDH1A1SMN1; SMN2L3MBTL1NPC1 |
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 |