Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | 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 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5246340 | 0.93 | NPC1 (0.38) | GLSALDH1A1NPC1RAB9ANAMPT | |
| Trifluoroacetic Acid SCHEMBL5244499 | 0.93 | BRD4 (0.42) | GLSALDH1A1MAPK1MAPK14NPC1 | |
| SCHEMBL5246341 | 0.90 | GLS (0.46) | GLSALDH1A1MAPK1MAPK14NPC1 | |
| SCHEMBL5246041 | 0.89 | MIF (0.45) | GLSALDH1A1LMNA | |
| Trifluoroacetic Acid SCHEMBL5244494 | 0.88 | MIF (0.37) | GLSALDH1A1MAPK14LMNAPOLB | |
| Trifluoroacetic Acid SCHEMBL5248782 | 0.88 | SCN9A (0.38) | MEN1KMT2ASCN9A | |
| Trifluoroacetic Acid SCHEMBL5248093 | 0.87 | ALDH1A1 (0.42) | ALDH1A1MAPK1LMNAROCK2ROCK1 | |
| Trifluoroacetic Acid SCHEMBL5245688 | 0.86 | BRD4 (0.41) | NPC1RAB9ANAMPTGAASMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL5249312 | 0.85 | TSHR (0.46) | ALDH1A1LMNAPOLBRAB9AROCK2 | |
| SCHEMBL5244568 | 0.85 | GLS (0.45) | GLSALDH1A1MAPK1MAPK14NPC1 |
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 |