Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | HPGDS | O60760 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL196492 | 0.86 | HRH3 (0.39) | MAPTHPGDSALDH1A1GAAPOLB | |
| SCHEMBL3316329 | 0.86 | HRH3 (0.39) | MAPTHPGDSALDH1A1GAAPOLB | |
| Hydrochloric Acid SCHEMBL25233214 | 0.84 | ALDH1A1 (0.38) | MAPTHPGDSALDH1A1GAAPOLB | |
| SCHEMBL5314785 | 0.83 | LMNA (0.36) | HPGDSALDH1A1GAAMEN1KMT2A | |
| SCHEMBL4542873 | 0.78 | — | — | |
| SCHEMBL27005929 | 0.75 | HSD17B10 (0.47) | HSD17B10ALDH1A1MAPK1 | |
| SCHEMBL25235628 | 0.72 | KDM1A (0.34) | KMT2AOPRM1OPRD1OPRK1 | |
| SCHEMBL14520275 | 0.71 | HSD17B10 (0.42) | HSD17B10OPRM1OPRD1OPRK1 | |
| Formic Acid SCHEMBL28326755 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL25234812 | 0.70 | KDM1A (0.33) | OPRM1OPRD1OPRK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2780026-A2 | HCV NS3 PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013074386-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |