Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5245793 | 0.93 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1NPSR1USP2TSHR | |
| Trifluoroacetic Acid SCHEMBL5244494 | 0.91 | MIF (0.37) | ALDH1A1CYP3A4MAPTMMP13EPHX2 | |
| SCHEMBL5246041 | 0.90 | MIF (0.45) | ALDH1A1MMP13EPHX2LMNA | |
| Trifluoroacetic Acid SCHEMBL5247737 | 0.87 | GLS (0.42) | ALDH1A1L3MBTL1MAPTLMNAROCK2 | |
| SCHEMBL3111267 | 0.86 | GLS (0.43) | MMP13EPHX2ROCK2ROCK1 | |
| SCHEMBL5248109 | 0.86 | EGLN1 (0.38) | EPHX2ROCK2ROCK1 | |
| SCHEMBL5250510 | 0.85 | DDT (0.41) | MMP13EPHX2ROCK2ROCK1 | |
| SCHEMBL5248520 | 0.85 | DDT (0.41) | MAPTEPHX2LMNAHPGD | |
| SCHEMBL5244307 | 0.85 | DDT (0.50) | CYP1A2CYP3A4CYP2C19MMP13ROCK2 | |
| SCHEMBL5246077 | 0.85 | MMP13 (0.37) | MAPTMMP13EPHX2 |
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 |