Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.36 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | ADH7 | P40394 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8347582 | 0.94 | ALDH1A1 (0.35) | TSHRALDH1A1PAOXADH1BADH1A | |
| SCHEMBL8015726 | 0.94 | ALDH1A1 (0.35) | TSHRALDH1A1PAOXADH1BADH1A | |
| SCHEMBL6142270 | 0.92 | ALDH1A1 (0.33) | TSHRALDH1A1PAOXADH1BADH1A | |
| SCHEMBL10437484 | 0.89 | TSHR (0.43) | TSHRALDH1A1PAOXCYP2C19MEN1 | |
| Propylamine SCHEMBL10386381 | 0.89 | CYP2C19 (0.41) | TSHRALDH1A1PAOXCYP2C19MEN1 | |
| SCHEMBL758215 | 0.88 | TSHR (0.38) | TSHRALDH1A1HRH3CYP2C19MEN1 | |
| SCHEMBL18244908 | 0.88 | TSHR (0.38) | TSHRALDH1A1PAOXADH1BADH1A | |
| SCHEMBL11235151 | 0.87 | TSHR (0.48) | TSHRALDH1A1PAOXHRH3CYP2C19 | |
| SCHEMBL10144492 | 0.84 | PAOX (0.33) | TSHRALDH1A1PAOXCYP2C19MEN1 | |
| SCHEMBL4745524 | 0.83 | CYP2C9 (0.41) | ALDH1A1CYP2C19MEN1KMT2ACA12 |
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-0251169-A1 | Process for the condensation of carbonyl and aromatic compounds | UNION CARBIDE CORPORATION (US) | 1988-01-07 | — | — | EP | disclosed |