Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 2/20 | 0.46 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.46 |
| ▸ | 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 |
| ▸ | PTGIR | P43119 | 2/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.34 |
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 SCHEMBL6679115 | 0.99 | CACNA1C (0.45) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| SCHEMBL6676424 | 0.85 | CACNA1C (0.48) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL6675369 | 0.84 | CACNA1C (0.47) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| SCHEMBL6675327 | 0.82 | CACNA1C (0.45) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL6679167 | 0.81 | CACNA1C (0.44) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| SCHEMBL6675317 | 0.75 | CACNA1C (0.49) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| SCHEMBL6674484 | 0.74 | SIGMAR1 (0.40) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL6674250 | 0.74 | CACNA1C (0.48) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| SCHEMBL6676349 | 0.74 | CACNA1C (0.48) | CACNA1CSCN5ASIGMAR1GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL6675375 | 0.73 | SIGMAR1 (0.40) | 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 |