Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 2/20 | 0.45 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.36 |
| ▸ | PTGIR | P43119 | 2/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 SCHEMBL6679059 | 0.99 | CACNA1C (0.44) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| SCHEMBL6675317 | 0.82 | CACNA1C (0.49) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| SCHEMBL6676349 | 0.81 | CACNA1C (0.48) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| SCHEMBL6676424 | 0.81 | CACNA1C (0.48) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL6674250 | 0.81 | CACNA1C (0.48) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL6675369 | 0.80 | CACNA1C (0.47) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| SCHEMBL6675381 | 0.78 | SCN5A (0.45) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL6680717 | 0.77 | SCN5A (0.44) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| SCHEMBL6676189 | 0.75 | CACNA1C (0.33) | CACNA1CSCN5AALDH1A1GAAMAPT | |
| SCHEMBL6675327 | 0.75 | CACNA1C (0.45) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B |
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 |