Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
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 SCHEMBL6684661 | 0.99 | ALDH1A1 (0.40) | ALDH1A1GAALMNAHPGDALOX12 | |
| SCHEMBL6675213 | 0.87 | PNMT (0.39) | ALDH1A1GAALMNAHPGDALOX12 | |
| Hydrochloric Acid SCHEMBL6684653 | 0.86 | PNMT (0.38) | ALDH1A1GAALMNAHPGDALOX12 | |
| Hydrochloric Acid SCHEMBL7246951 | 0.85 | GRIN2D (0.33) | ALDH1A1GAASMN1; SMN2GRIN2DGRIN3B | |
| SCHEMBL6676422 | 0.81 | ALDH1A1 (0.42) | ALDH1A1GAALMNAHPGDALOX12 | |
| Hydrochloric Acid SCHEMBL6675363 | 0.79 | ALDH1A1 (0.41) | ALDH1A1GAALMNAHPGDALOX12 | |
| SCHEMBL6676424 | 0.75 | CACNA1C (0.48) | ALDH1A1GAALMNAHPGDALOX12 | |
| SCHEMBL6677282 | 0.74 | POLB (0.34) | ALDH1A1GAALMNAHTTCACNA1C | |
| Hydrochloric Acid SCHEMBL6675369 | 0.73 | CACNA1C (0.47) | ALDH1A1LMNAHPGDALOX12KMT2A | |
| SCHEMBL6675723 | 0.71 | SIGMAR1 (0.44) | ALDH1A1SMN1; SMN2GRIN2DGRIN3BGRIN1 |
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 |