Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | PAM | P19021 | 3/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | MMP12 | P39900 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PTPRC | P08575 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 SCHEMBL29247901 | 0.83 | CYP2C19 (0.52) | CYP2C19PAMFFAR1AKR1B1KEAP1 | |
| Dibenzyl Disulfide SCHEMBL28006296 | 0.82 | IDO1 (0.56) | CYP2C19AKR1B1PTPRCCES2CES1 | |
| Dibenzyl Disulfide SCHEMBL27966611 | 0.82 | IDO1 (0.56) | CYP2C19AKR1B1ALDH1A1PTPRCCES2 | |
| SCHEMBL9261878 | 0.81 | CYP2C19 (0.71) | CYP2C19FFAR1AKR1B1KEAP1ALDH1A1 | |
| Dibenzyl Disulfide SCHEMBL160895 | 0.81 | HSD17B10 (0.52) | CYP2C19CYP2D6ALDH1A1IDO1NOS3 | |
| Dibenzyl Disulfide SCHEMBL16332737 | 0.81 | HSD17B10 (0.52) | CYP2C19CYP2D6ALDH1A1IDO1NOS3 | |
| SCHEMBL499117 | 0.80 | CYP2C19 (0.64) | CYP2C19PAMFFAR1AKR1B1MMP12 | |
| Dibenzyl Disulfide SCHEMBL27853226 | 0.80 | IDO1 (0.54) | CYP2C19AKR1B1PTPRCCES2CES1 | |
| Dibenzyl Disulfide SCHEMBL27512197 | 0.79 | IDO1 (0.50) | CYP2C19CYP2D6ALDH1A1IDO1NOS3 | |
| Benzil SCHEMBL8507126 | 0.78 | CES2 (0.61) | CYP2C19PTPRCCES2CES1SLC6A3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1136521-B1 | Process for preparing an ocular lens material having hydrophilic surface | MENICON CO LTD (JP) | 2007-02-21 | — | — | EP | claimed |
| EP-1608726-A1 | LUBRICATING OIL COMPOSITION WITH GOOD FRICTIONAL PROPERTIES | Rohmax Additives GmbH (DE) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004087850-A1 | LUBRICATING OIL COMPOSITION WITH GOOD FRICTIONAL PROPERTIES | ROHMAX ADDITIVES GMBH (DE) | 2004-10-14 | — | — | WO | disclosed |
| EP-0404498-B1 | Novel halo propargyl compounds, and uses and processes of preparation thereof | ROHM & HAAS (US) | 1994-10-19 | — | — | EP | disclosed |
| US-5292762-A | Halopropargyl compounds, compositions, uses and processes of preparation | ROHM AND HAAS COMPANY (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0404498-A2 | Novel halo propargyl compounds, and uses and processes of preparation thereof | ROHM AND HAAS COMPANY (US) | 1990-12-27 | — | — | EP | disclosed |