Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16003984 | 0.89 | MAPT (0.47) | RIPK1SIGMAR1CYP2D6GPR142KMT2A | |
| SCHEMBL16004306 | 0.89 | RIPK1 (0.43) | RIPK1CYP1A2CYP2D6GPR142KMT2A | |
| SCHEMBL16004304 | 0.85 | RIPK1 (0.43) | RIPK1TSHRGPR142KMT2AALDH1A1 | |
| SCHEMBL16004134 | 0.82 | ABCB1 (0.48) | RIPK1GPR142KMT2ASMN1; SMN2GAA | |
| SCHEMBL16004439 | 0.80 | PKM (0.44) | SIGMAR1TSHRKMT2ASMN1; SMN2GAA | |
| SCHEMBL16003974 | 0.78 | HRH3 (0.52) | KMT2AGAAHRH3 | |
| SCHEMBL16003977 | 0.78 | MEN1 (0.48) | RIPK1SIGMAR1GPR142KMT2AMEN1 | |
| SCHEMBL16004308 | 0.77 | ABCB1 (0.48) | RIPK1GPR142KMT2ASMN1; SMN2GAA | |
| SCHEMBL16004305 | 0.76 | RIPK1 (0.46) | RIPK1GPR142KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL16003975 | 0.75 | ABCB1 (0.46) | RIPK1GPR142KMT2ASMN1; SMN2GAA |
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 |