Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 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 | |
|---|---|---|---|---|
| Dibenzyl Disulfide SCHEMBL16332737 | 0.78 | HSD17B10 (0.52) | CYP2C19CTSLCTSBIDO1CYP1A2 | |
| Dibenzyl Disulfide SCHEMBL160895 | 0.78 | HSD17B10 (0.52) | CYP2C19CTSLCTSBIDO1CYP1A2 | |
| SCHEMBL11807012 | 0.76 | CYP2C19 (0.50) | CYP2C19IDO1CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL28928181 | 0.75 | ALDH1A1 (0.50) | CYP2C19CTSLCTSBIDO1CYP1A2 | |
| Dibenzyl Disulfide SCHEMBL31120434 | 0.75 | HSD17B10 (0.50) | CYP2C19CTSLCTSBIDO1CYP1A2 | |
| Dibenzyl Disulfide SCHEMBL30254005 | 0.75 | HSD17B10 (0.50) | CYP2C19CTSLCTSBIDO1CYP1A2 | |
| Dibenzyl Disulfide SCHEMBL5313009 | 0.75 | ALDH1A1 (0.50) | CYP2C19CTSLCTSBIDO1CYP1A2 | |
| Dibenzyl Disulfide SCHEMBL1741790 | 0.75 | IDO1 (0.52) | CYP2C19CTSLCTSBIDO1CYP1A2 | |
| Dibenzyl Disulfide SCHEMBL32679343 | 0.75 | HSD17B10 (0.50) | CYP2C19CTSLCTSBIDO1CYP1A2 | |
| SCHEMBL9261878 | 0.73 | CYP2C19 (0.71) | CYP2C19IDO1ALDH1A1HPGDLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691319-A | ANTICARCINOGENIC AGENTS | SANKYO COMPANY, LIMITED (JP) | 1997-11-25 | — | — | US | disclosed |
| EP-0536936-B1 | Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use | SANKYO CO (JP) | 1996-08-14 | — | — | EP | disclosed |
| EP-0536936-A1 | Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use | Sankyo Company Limited (JP) | 1993-04-14 | — | — | EP | disclosed |