Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 4/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 SCHEMBL28928181 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL28231591 | 0.97 | ALDH1A1 (0.48) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL160895 | 0.97 | HSD17B10 (0.52) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL16332737 | 0.97 | HSD17B10 (0.52) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL28328349 | 0.94 | HSD17B10 (0.50) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL32679343 | 0.94 | HSD17B10 (0.50) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL28107661 | 0.94 | HSD17B10 (0.50) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL31120434 | 0.94 | HSD17B10 (0.50) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL1741790 | 0.94 | IDO1 (0.52) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL30254005 | 0.94 | HSD17B10 (0.50) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007038524-A2 | COCRYSTALLIZATION METHODS | SSCI, INC. (US) | 2007-04-05 | — | — | WO | disclosed |