Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.46 |
| ▸ | NOS1 | P29475 | 2/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8728754 | 0.80 | CYP2C19 (0.47) | IDO1NOS1NOS3NOS2CYP2C19 | |
| SCHEMBL11255144 | 0.79 | ALDH1A1 (0.40) | IDO1CYP2C19ALPIPKMPTGS1 | |
| SCHEMBL3065468 | 0.77 | IDO1 (0.42) | IDO1NOS1NOS3NOS2CYP2C19 | |
| SCHEMBL6683855 | 0.77 | IDO1 (0.48) | IDO1NOS1NOS3NOS2CYP2C19 | |
| SCHEMBL6683851 | 0.74 | IDO1 (0.46) | IDO1NOS1NOS3NOS2CYP2C19 | |
| SCHEMBL3076692 | 0.73 | IDO1 (0.48) | IDO1NOS1NOS3NOS2CYP2C19 | |
| Urea SCHEMBL27623582 | 0.71 | CYP2C19 (0.61) | IDO1NOS1NOS3NOS2CYP2C19 | |
| Dibenzyl Disulfide SCHEMBL27966611 | 0.71 | IDO1 (0.56) | IDO1NOS1NOS3NOS2CYP2C19 | |
| Carbamic Acid SCHEMBL28267319 | 0.71 | CYP2C19 (0.61) | IDO1NOS1NOS3NOS2CYP2C19 | |
| Dibenzyl Disulfide SCHEMBL28006296 | 0.71 | IDO1 (0.56) | IDO1NOS1NOS3NOS2CYP2C19 |
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-2003060192-A1 | NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT | UNIVERSITY OF DAYTON (US) | 2003-07-24 | — | — | WO | disclosed |