Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1121965 | 0.96 | CYP2C19 (0.44) | CYP2C19CYP1A2CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL8539247 | 0.84 | SMN1; SMN2 (0.50) | CYP2C19CYP1A2CYP2D6CYP2C9CYP3A4 | |
| Allylbenzene SCHEMBL27888624 | 0.78 | MAOB (0.48) | CYP2C19CYP1A2CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL21189957 | 0.77 | PTGS2 (0.40) | CYP2C19CYP1A2CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL19785650 | 0.77 | PTGS2 (0.40) | CYP2C19CYP1A2CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL13138373 | 0.77 | CYP1A2 (0.52) | CYP2C19CYP1A2CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL27973299 | 0.77 | ALDH1A1 (0.48) | CYP2C19CYP1A2CYP2D6CYP2C9CYP3A4 | |
| Hydrogen Sulfide SCHEMBL27662687 | 0.77 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL10974240 | 0.75 | CYP2C19 (0.50) | CYP2C19CYP1A2CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL45130 | 0.75 | ESR1 (0.41) | CYP2C19ALOX5SMN1; SMN2ALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108003995-A | A kind of dual-purpose oil of hydraulic drive and preparation method thereof | 河北深思新材料技术有限公司 | 2018-05-08 | — | — | CN | disclosed |