Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | PPOX | P50336 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8603603 | 0.88 | MAPT (0.39) | KDM4EALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL8599592 | 0.86 | PPOX (0.38) | KDM4EALDH1A1HSD17B10HPGDCYP1A2 | |
| SCHEMBL8600830 | 0.85 | PPOX (0.51) | KDM4EALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL8598865 | 0.84 | PPOX (0.37) | HPGDCYP1A2CYP2C9CYP2C19PPOX | |
| SCHEMBL8579591 | 0.84 | PPOX (0.38) | KDM4EALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL8600214 | 0.83 | PPOX (0.44) | KDM4EALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL8602458 | 0.83 | PPOX (0.44) | ALDH1A1HPGDHTR2APPOXGAA | |
| SCHEMBL8601518 | 0.81 | PPOX (0.45) | HPGDPTGDR2PPOXGAAPTGDR | |
| SCHEMBL8601614 | 0.81 | PPOX (0.43) | ALDH1A1TSHRPPOXGAATDP1 | |
| SCHEMBL10545794 | 0.80 | — | — |
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 |