Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | CARM1 | Q86X55 | 2/20 | 0.34 |
| ▸ | PRMT6 | Q96LA8 | 2/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 14/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779308 | 1.00 | ALDH1A1 (0.36) | ALDH1A1ACHEGRIN3BGRIN1GRIN2C | |
| SCHEMBL8779264 | 0.89 | AAK1 (0.35) | ALDH1A1GRIN3BGRIN1GRIN2CCARM1 | |
| SCHEMBL8779212 | 0.86 | HPGD (0.38) | ALDH1A1GRIN3BGRIN1GRIN2CCARM1 | |
| SCHEMBL8779176 | 0.86 | HPGD (0.38) | ALDH1A1GRIN3BGRIN1GRIN2CCARM1 | |
| SCHEMBL8779292 | 0.85 | CARM1 (0.35) | CARM1PRMT6 | |
| SCHEMBL8779188 | 0.84 | CTSC (0.37) | ALDH1A1ACHEGRIN3BGRIN1GRIN2C | |
| SCHEMBL8779136 | 0.84 | IKBKB (0.37) | ALDH1A1CARM1PRMT6 | |
| SCHEMBL8779325 | 0.84 | IKBKB (0.37) | ALDH1A1CARM1PRMT6 | |
| SCHEMBL8779283 | 0.84 | ALDH1A1 (0.35) | ALDH1A1ACHEGRIN3BGRIN1GRIN2C | |
| SCHEMBL8779157 | 0.83 | XIAP (0.40) | CARM1PRMT6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0661269-B1 | Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments | HOECHST AG (DE) | 1997-03-26 | — | — | EP | disclosed |
| EP-0661269-A1 | Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-07-05 | — | — | EP | disclosed |