Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 4/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL26552039 | 0.92 | MGLL (0.60) | MGLLCHRM2CHRM3SIGMAR1OPRM1 | |
| SCHEMBL21254493 | 0.89 | MGLL (0.58) | MGLLCHRM2CHRM3SIGMAR1OPRM1 | |
| SCHEMBL18785020 | 0.87 | MGLL (0.56) | MGLLCHRM2CHRM3SIGMAR1OPRM1 | |
| SCHEMBL18719631 | 0.85 | MGLL (0.58) | MGLLCHRM2CHRM3SIGMAR1OPRM1 | |
| SCHEMBL20046098 | 0.85 | CYP2D6 (0.58) | MGLLCHRM2CHRM3SIGMAR1OPRM1 | |
| Hydrochloric Acid SCHEMBL31716831 | 0.84 | CYP2D6 (0.57) | MGLLCHRM2CHRM3SIGMAR1OPRM1 | |
| SCHEMBL17318952 | 0.83 | SIGMAR1 (0.58) | MGLLCHRM2SIGMAR1OPRM1CYP2D6 | |
| SCHEMBL17319038 | 0.82 | MGLL (0.70) | MGLLCHRM2CHRM3SIGMAR1OPRM1 | |
| SCHEMBL21254338 | 0.82 | MGLL (0.55) | MGLLCHRM2CHRM3SIGMAR1OPRM1 | |
| Hydrochloric Acid SCHEMBL18695858 | 0.82 | SIGMAR1 (0.57) | MGLLCHRM2SIGMAR1OPRM1CYP2D6 |
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-3113780-B1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2019-08-14 | — | — | EP | disclosed |