Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GPR142 | Q7Z601 | 5/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004289 | 0.92 | ABCC1 (0.41) | GPR142RIPK1RYR2 | |
| SCHEMBL16004287 | 0.91 | KMT2A (0.46) | ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL16004279 | 0.85 | ALDH1A1 (0.46) | ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL16003991 | 0.85 | ALDH1A1 (0.47) | ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL16004075 | 0.83 | ABCC1 (0.43) | GPR142RIPK1RYR2 | |
| SCHEMBL16004421 | 0.82 | GPR142 (0.43) | ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL16004315 | 0.80 | GPR142 (0.44) | ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL16004322 | 0.80 | ALDH1A1 (0.42) | ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL16004324 | 0.79 | ALDH1A1 (0.44) | ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL16004424 | 0.78 | ALDH1A1 (0.44) | ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E |
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 |