Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPOX | P50336 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8599827 | 0.96 | PPOX (0.47) | PPOXALDH1A1L3MBTL1TDP1LMNA | |
| SCHEMBL8603213 | 0.87 | PPOX (0.56) | PPOXALDH1A1L3MBTL1TDP1LMNA | |
| SCHEMBL8599623 | 0.82 | PPOX (0.42) | PPOXALDH1A1L3MBTL1LMNATSHR | |
| SCHEMBL8598738 | 0.81 | ELANE (0.43) | ALDH1A1L3MBTL1TDP1LMNATSHR | |
| SCHEMBL8599749 | 0.81 | PPOX (0.42) | PPOXALDH1A1L3MBTL1LMNAHSD17B10 | |
| SCHEMBL8600214 | 0.81 | PPOX (0.44) | PPOXALDH1A1L3MBTL1TDP1LMNA | |
| SCHEMBL11832150 | 0.79 | PPOX (0.45) | PPOXALDH1A1L3MBTL1TDP1LMNA | |
| SCHEMBL8603144 | 0.79 | ALDH1A1 (0.62) | PPOXALDH1A1L3MBTL1TDP1LMNA | |
| SCHEMBL8601614 | 0.79 | PPOX (0.43) | PPOXALDH1A1L3MBTL1TDP1LMNA | |
| SCHEMBL8602961 | 0.79 | ALDH1A1 (0.47) | PPOXALDH1A1TDP1TSHRHSD17B10 |
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 |