Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CASP3 | P42574 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | GLS | O94925 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14928818 | 0.82 | ALDH1A1 (0.41) | ALDH1A1CASP3MAPK1ELANECA12 | |
| SCHEMBL1231399 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CASP3MAPK1CA12CA9 | |
| SCHEMBL3764535 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CASP3MAPK1CA12CA9 | |
| SCHEMBL1231395 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CASP3MAPK1CA12CA9 | |
| Hydrochloric Acid SCHEMBL525551 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CASP3MAPK1ELANECA12 | |
| Hydrochloric Acid SCHEMBL525550 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CASP3MAPK1ELANECA12 | |
| SCHEMBL111864 | 0.75 | ALDH1A1 (0.42) | ALDH1A1KMT2AMAPT | |
| SCHEMBL14911465 | 0.75 | ALDH1A1 (0.42) | ALDH1A1MAPK1CA12CA9KMT2A | |
| SCHEMBL18673767 | 0.75 | CASP3 (0.53) | ALDH1A1CASP3KMT2ARAB9A | |
| SCHEMBL3379010 | 0.73 | ELANE (0.51) | ALDH1A1CASP3MAPK1ELANECA12 |
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-2589592-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | FUJIFILM Corporation (JP) | 2013-05-08 | — | — | EP | disclosed |