Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GPR183 | P32249 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004248 | 0.89 | ABCB1 (0.50) | ABCB1ABCC1SMN1; SMN2MAPTHPGD | |
| SCHEMBL16004253 | 0.88 | SMN1; SMN2 (0.54) | ABCB1ABCC1SMN1; SMN2MAPTHPGD | |
| SCHEMBL16004308 | 0.87 | ABCB1 (0.48) | ABCB1ABCC1SMN1; SMN2MAPTHPGD | |
| SCHEMBL16004134 | 0.86 | ABCB1 (0.48) | ABCB1ABCC1SMN1; SMN2MAPTHPGD | |
| SCHEMBL16003975 | 0.84 | ABCB1 (0.46) | ABCB1ABCC1SMN1; SMN2MAPTHPGD | |
| SCHEMBL16003984 | 0.84 | MAPT (0.47) | ABCB1ABCC1SMN1; SMN2MAPTHPGD | |
| SCHEMBL16004136 | 0.84 | GPR142 (0.46) | ABCB1ABCC1SMN1; SMN2MAPTHPGD | |
| SCHEMBL16004091 | 0.84 | ALDH1A1 (0.48) | ABCB1ABCC1SMN1; SMN2MAPTHPGD | |
| SCHEMBL16004138 | 0.80 | SIGMAR1 (0.48) | MAPTKMT2AGPR142NPC1 | |
| SCHEMBL17960409 | 0.79 | SMN1; SMN2 (0.50) | ABCB1ABCC1SMN1; SMN2MAPTHPGD |
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 |