Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL8600587 | 0.94 | ESR1 (0.37) | HTTRECQLESR1CYP1A2CYP2C19 | |
| SCHEMBL8601876 | 0.92 | ESR1 (0.36) | HTTRECQLESR1CYP1A2CYP2C19 | |
| SCHEMBL8599277 | 0.91 | ALDH1A1 (0.31) | — | |
| SCHEMBL8603927 | 0.84 | ALDH1A1 (0.38) | HTTRECQLCYP1A2CYP2C19 | |
| SCHEMBL8603109 | 0.84 | MAPT (0.33) | HTT | |
| SCHEMBL8598592 | 0.82 | — | — | |
| SCHEMBL8600251 | 0.81 | POLB (0.30) | — | |
| SCHEMBL8602181 | 0.81 | — | — | |
| SCHEMBL8601643 | 0.79 | ALDH1A1 (0.40) | HTTRECQLESR1CYP1A2CYP2C19 | |
| SCHEMBL8602264 | 0.78 | ESR1 (0.35) | HTTRECQLESR1CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0626370-B1 | Process for producing aromatic isothiocyanate derivatives | SUMITOMO CHEMICAL CO (JP) | 1998-02-11 | — | — | EP | disclosed |
| EP-0626370-A1 | Process for producing aromatic isothiocyanate derivatives | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1994-11-30 | — | — | EP | disclosed |