Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 11/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5246240 | 0.93 | NPC1 (0.39) | GLSALDH1A1NPC1RAB9ASCN9A | |
| Trifluoroacetic Acid SCHEMBL5245621 | 0.90 | GLS (0.42) | GLSHPGDHSD17B10ALOX15KDM4E | |
| SCHEMBL5246341 | 0.89 | GLS (0.46) | GLSALDH1A1MAPK1HPGDHSD17B10 | |
| SCHEMBL5246054 | 0.89 | CHRNB2 (0.39) | ALDH1A1MEN1KMT2ANPC1LMNA | |
| SCHEMBL3111906 | 0.87 | SMPD1 (0.38) | — | |
| SCHEMBL5249178 | 0.86 | SMPD1 (0.34) | ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL5245598 | 0.86 | GLS (0.44) | GLSROCK2ROCK1POLB | |
| SCHEMBL5249551 | 0.86 | NPC1 (0.40) | ALDH1A1MAPK1HPGDMEN1KMT2A | |
| SCHEMBL5244268 | 0.85 | PDK2 (0.35) | POLB | |
| SCHEMBL3116642 | 0.85 | TP53 (0.40) | GLSMAPK1HPGDMEN1KMT2A |
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 |