Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.75 |
| ▸ | ESR1 | P03372 | 9/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | ESRRG | P62508 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL10999284 | 0.91 | SHBG (0.84) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| Benzene SCHEMBL29025935 | 0.91 | SHBG (0.91) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| SCHEMBL10141 | 0.87 | SHBG (1.00) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| SCHEMBL31282065 | 0.87 | SHBG (1.00) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| Phenol SCHEMBL11364645 | 0.86 | SHBG (0.75) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| Phenol SCHEMBL28114184 | 0.85 | SHBG (0.73) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| SCHEMBL22773183 | 0.85 | SHBG (0.95) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| SCHEMBL10785821 | 0.85 | SHBG (0.95) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| Hydrogen Sulfide SCHEMBL10824257 | 0.85 | SHBG (0.95) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| SCHEMBL28041281 | 0.85 | SHBG (0.95) | SHBGESR1ESR2CYP3A4ALDH1A1 |
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-3733644-A1 | ORGANIC AMINE COLLECTION METHOD | Asahi Kasei Kabushiki Kaisha (JP) | 2020-11-04 | — | — | EP | disclosed |