Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 10/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL5245844 | 0.92 | NPC1 (0.40) | GLSALDH1A1NPC1RAB9ABRD4 | |
| SCHEMBL5247392 | 0.91 | GLS (0.47) | GLSALDH1A1MAPK1HPGDHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL5247737 | 0.90 | GLS (0.42) | GLSALDH1A1MAPK1HPGDHSD17B10 | |
| SCHEMBL5244568 | 0.89 | GLS (0.45) | GLSALDH1A1MAPK1HPGDHSD17B10 | |
| SCHEMBL5246680 | 0.88 | RAB9A (0.35) | ALDH1A1MEN1KMT2ANPC1LMNA | |
| SCHEMBL3115101 | 0.86 | SMPD1 (0.43) | — | |
| SCHEMBL5246678 | 0.86 | SMPD1 (0.39) | ALDH1A1HPGDHSD17B10KDM4EBRD4 | |
| SCHEMBL5247715 | 0.85 | GLS (0.45) | GLSROCK2ROCK1POLBPPARG | |
| SCHEMBL3113668 | 0.85 | NOTUM (0.39) | — | |
| SCHEMBL5246036 | 0.85 | NPC1 (0.41) | MAPK1HPGDMEN1KMT2ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |