Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 5/20 | 0.48 |
| ▸ | NOS1 | P29475 | 2/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4956073 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 | |
| SCHEMBL11208326 | 0.76 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 | |
| SCHEMBL5193497 | 0.74 | CYP3A4 (0.61) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 | |
| SCHEMBL11205829 | 0.74 | MMP8 (0.49) | SMN1; SMN2GAAMAPTKMT2AEPHX1 | |
| Dibenzyl Disulfide SCHEMBL28006296 | 0.74 | IDO1 (0.56) | IDO1NOS1NOS3NOS2CYP2C19 | |
| Carbamic Acid SCHEMBL28267319 | 0.74 | CYP2C19 (0.61) | IDO1NOS1NOS3NOS2CYP2C19 | |
| Dibenzyl Disulfide SCHEMBL27966611 | 0.74 | IDO1 (0.56) | IDO1NOS1NOS3NOS2CYP2C19 | |
| Urea SCHEMBL27623582 | 0.74 | CYP2C19 (0.61) | IDO1NOS1NOS3NOS2CYP2C19 | |
| Dibenzyl Disulfide SCHEMBL27853226 | 0.72 | IDO1 (0.54) | IDO1NOS1NOS3NOS2CYP2C19 | |
| SCHEMBL1397310 | 0.72 | IDO1 (0.65) | 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-2003060191-A2 | NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT | UNIVERSITY OF DAYTON (US) | 2003-07-24 | — | — | WO | disclosed |