Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.67 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALPG | P10696 | 1/20 | 0.44 |
| ▸ | PDE6D | O43924 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4429718 | 0.87 | ESR1 (0.70) | ESR1PLAAALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL5329152 | 0.87 | ESR1 (0.55) | ESR1PLAAMAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL17916296 | 0.85 | ESR1 (0.67) | ESR1PLAAALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL5707890 | 0.85 | ESR1 (0.67) | ESR1PLAAALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL18510090 | 0.85 | ESR1 (0.67) | ESR1PLAAALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL5858677 | 0.83 | ESR1 (0.72) | ESR1PLAAALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL20880515 | 0.82 | ESR1 (0.64) | ESR1PLAAALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL20880525 | 0.82 | ESR1 (0.64) | ESR1PLAAALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL17916294 | 0.81 | ESR1 (0.62) | ESR1PLAAL3MBTL1ALDH1A1CYP2C9 | |
| SCHEMBL30775444 | 0.81 | ESR1 (1.00) | ESR1PLAAMAPK1ALPGPDE6D |
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-2563123-B1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2018-04-25 | — | — | EP | disclosed |