Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6675374 | 0.99 | ALDH1A1 (0.40) | ALDH1A1GAAKDM4EHTTCYP1A2 | |
| SCHEMBL6676422 | 0.77 | ALDH1A1 (0.42) | ALDH1A1GAAHTTKMT2ALMNA | |
| Hydrochloric Acid SCHEMBL6675363 | 0.75 | ALDH1A1 (0.41) | ALDH1A1GAAHTTKMT2ALMNA | |
| SCHEMBL6674484 | 0.74 | SIGMAR1 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL6680198 | 0.74 | ALDH1A1 (0.43) | ALDH1A1GAAHTTKMT2ALMNA | |
| Hydrochloric Acid SCHEMBL6675375 | 0.73 | SIGMAR1 (0.40) | ALDH1A1KMT2ALMNAGLASIGMAR1 | |
| SCHEMBL6682250 | 0.72 | GAA (0.41) | ALDH1A1GAAHTTKMT2ALMNA | |
| SCHEMBL6675321 | 0.71 | ALDH1A1 (0.40) | ALDH1A1GAAHTTKMT2ALMNA | |
| Hydrochloric Acid SCHEMBL6679110 | 0.71 | ALDH1A1 (0.40) | ALDH1A1GAAHTTKMT2ALMNA | |
| Hydrochloric Acid SCHEMBL7240792 | 0.70 | ALDH1A1 (0.40) | ALDH1A1GAAHTTKMT2ALMNA |
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-0798292-B1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) | 2004-11-03 | — | — | EP | claimed |