Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | PGR | P06401 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL15427906 | 0.83 | ESR1 (0.69) | ESR1ESR2ALOX15TDP1SLC6A2 | |
| SCHEMBL28331437 | 0.83 | TAAR1 (0.54) | ESR1ESR2ALOX15TDP1SLC6A2 | |
| SCHEMBL984070 | 0.83 | ESR1 (0.72) | ESR1ESR2ALOX15TDP1SLC6A2 | |
| SCHEMBL22918209 | 0.82 | ALDH1A1 (0.40) | ESR1ESR2TDP1CYP2C19LMNA | |
| SCHEMBL21553602 | 0.80 | GABBR2 (0.44) | CYP2C19LMNACYP1A2CYP3A4ADORA3 | |
| SCHEMBL28125000 | 0.80 | ESR1 (0.58) | ESR1ESR2ALOX15TDP1SLC6A2 | |
| SCHEMBL2917101 | 0.79 | HRH1 (0.58) | CYP2C19LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13849469 | 0.78 | ESR1 (0.56) | ESR1ESR2ALOX15TDP1SLC6A2 | |
| SCHEMBL3698082 | 0.78 | NR1I2 (0.57) | ESR1ESR2ALOX15TDP1SLC6A2 | |
| SCHEMBL1425068 | 0.78 | ESR1 (0.67) | ESR1ESR2ALOX15TDP1SLC6A2 |
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-0007204-A1 | Phenethanolamines, their formulations, use and preparation | ELI LILLY AND COMPANY (US) | 1980-01-23 | — | — | EP | disclosed |