Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9016024 | 0.94 | ESR1 (0.46) | ESR1ADORA3SLC6A2SLC6A3LMNA | |
| SCHEMBL9016039 | 0.92 | ESR1 (0.48) | ESR1ADORA3SLC6A2SLC6A3LMNA | |
| Hydrogen Sulfide SCHEMBL11699776 | 0.91 | ESR1 (0.47) | ESR1ADORA3SLC6A2SLC6A3LMNA | |
| SCHEMBL7432877 | 0.88 | ESR1 (0.53) | ESR1ADORA3SLC6A2SLC6A3LMNA | |
| SCHEMBL28824086 | 0.82 | NPC1 (0.42) | SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL8973155 | 0.82 | HRH3 (0.45) | SLC6A2SLC6A3LMNATDP1SLC6A4 | |
| SCHEMBL8973238 | 0.82 | SLC6A2 (0.45) | SLC6A2SLC6A3LMNACYP2C9CYP2C19 | |
| SCHEMBL28429634 | 0.80 | HTR7 (0.39) | SLC6A2SLC6A3LMNACHRM1DRD3 | |
| SCHEMBL28771687 | 0.80 | BDKRB2 (0.40) | ESR1LMNATDP1ESR2ALDH1A1 | |
| SCHEMBL27647959 | 0.80 | CYP1A2 (0.37) | LMNACYP3A4CYP1A2CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103122062-A | Solid state polymerization process for polyester with phosphinic acid compounds | BASF SE | 2013-05-29 | — | — | CN | disclosed |
| US-5585403-A | APPLYING A DICHLOROBENZENE AND A DIALKYLDIMETHYLAMMONIUM HALIDE TO ANIMAL HABITAT | TAMURA SEIYAKU KABUSHIKI KAISHA (JP) | 1996-12-17 | — | — | US | disclosed |