Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16003977 | 0.91 | MEN1 (0.48) | MAPTRIPK1KMT2AGPR142 | |
| SCHEMBL16004248 | 0.89 | ABCB1 (0.50) | ABCB1ABCC1SMN1; SMN2MAPTRIPK1 | |
| SCHEMBL16004253 | 0.89 | SMN1; SMN2 (0.54) | ABCB1ABCC1SMN1; SMN2MAPTRIPK1 | |
| SCHEMBL16004247 | 0.89 | HPGD (0.51) | SMN1; SMN2MAPTRIPK1THRBTP53 | |
| SCHEMBL16004308 | 0.88 | ABCB1 (0.48) | ABCB1ABCC1SMN1; SMN2MAPTRIPK1 | |
| SCHEMBL16004136 | 0.86 | GPR142 (0.46) | ABCB1ABCC1SMN1; SMN2MAPTRIPK1 | |
| SCHEMBL16004238 | 0.86 | ABCB1 (0.47) | ABCB1ABCC1SMN1; SMN2MAPTRIPK1 | |
| SCHEMBL16004306 | 0.85 | RIPK1 (0.43) | MAPTRIPK1GAAALDH1A1KMT2A | |
| SCHEMBL16003975 | 0.85 | ABCB1 (0.46) | ABCB1ABCC1SMN1; SMN2MAPTRIPK1 | |
| SCHEMBL16004091 | 0.84 | ALDH1A1 (0.48) | 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 |