Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8600331 | 0.98 | ALDH1A1 (0.39) | ALDH1A1TDP1L3MBTL1ALOX15HTT | |
| SCHEMBL8603927 | 0.94 | ALDH1A1 (0.38) | ALDH1A1TDP1L3MBTL1ALOX15HTT | |
| SCHEMBL8604172 | 0.90 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1ALOX15HTTCYP1A2 | |
| SCHEMBL8485382 | 0.85 | ALDH1A1 (0.41) | ALDH1A1TDP1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL8600587 | 0.84 | ESR1 (0.37) | ALDH1A1TDP1L3MBTL1HTTRECQL | |
| SCHEMBL8601876 | 0.83 | ESR1 (0.36) | ALDH1A1TDP1L3MBTL1HTTRECQL | |
| SCHEMBL8602482 | 0.82 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1RECQLATMCYP1A2 | |
| SCHEMBL8603446 | 0.82 | ALDH1A1 (0.34) | ALDH1A1CYP1A2CYP2C19CYP2C9MEN1 | |
| SCHEMBL8602264 | 0.82 | ESR1 (0.35) | ALDH1A1TDP1L3MBTL1HTTRECQL | |
| SCHEMBL8601888 | 0.82 | KDM4E (0.30) | ALDH1A1L3MBTL1KDM4E |
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 |