Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.51 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.51 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 2/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7260721 | 0.90 | NPC1 (0.53) | GRM2HTTSMN1; SMN2NPC1MAPK1 | |
| SCHEMBL8361615 | 0.85 | MAPK1 (0.56) | HTTSMN1; SMN2NPC1GAAMAPK1 | |
| SCHEMBL7255278 | 0.84 | NR4A2 (0.53) | GRM2HTTSMN1; SMN2NPC1MAPK1 | |
| SCHEMBL6740488 | 0.81 | NAMPT (0.54) | HTTGAA | |
| SCHEMBL6350923 | 0.78 | GAA (0.79) | HTTSMN1; SMN2NPC1GAAMAPK1 | |
| SCHEMBL7255986 | 0.78 | CRHBP (0.54) | NPC1GAAMAPK1HTR1ADRD2 | |
| SCHEMBL28048524 | 0.78 | MAPK1 (0.64) | HTTSMN1; SMN2MAPK1HTR1ADRD2 | |
| SCHEMBL7832381 | 0.74 | CYP11B2 (0.57) | NPC1MAPK1HTR1ADRD2CYP19A1 | |
| SCHEMBL29933468 | 0.74 | CA1 (0.50) | KEAP1NFE2L2SMN1; SMN2NPC1GAA | |
| SCHEMBL7256123 | 0.73 | RAB9A (0.74) | HTTSMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003033467-A1 | NITROSO DIPHENYLAMINE DERIVATIVES AS NITROGEN MONOXIDE GENERATING AGENTS | MERCK PATENT GMBH (DE) | 2003-04-24 | — | — | WO | disclosed |