Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SNCA | P37840 | 4/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.40 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8912806 | 0.72 | KCNJ1 (0.60) | KCNJ1KCNH2 | |
| SCHEMBL8913631 | 0.72 | TDP1 (0.51) | NPC1MAPTRAB9ATDP1ALDH1A1 | |
| SCHEMBL12862872 | 0.70 | ADRA2A (0.41) | MAPTSNCAADRA2APNMTADRB1 | |
| SCHEMBL1144860 | 0.67 | SNCA (0.56) | SNCANOX1CYP3A4TDP1ALDH1A1 | |
| SCHEMBL9698085 | 0.67 | SNCA (0.56) | SNCANOX1CYP3A4TDP1ALDH1A1 | |
| SCHEMBL8469291 | 0.66 | SNCA (0.51) | NPC1MAPTRAB9ASNCANOX1 | |
| SCHEMBL11918666 | 0.65 | PNMT (0.43) | MAPTADRA2APNMTADRB1SIRT6 | |
| SCHEMBL1208092 | 0.65 | SNCA (0.84) | NPC1MAPTRAB9ASNCANOX1 | |
| SCHEMBL29625234 | 0.65 | SNCA (0.84) | NPC1MAPTRAB9ASNCANOX1 | |
| SCHEMBL3031049 | 0.65 | SNCA (0.68) | NPC1MAPTRAB9ASNCANOX1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |