Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | PNMT | P11086 | 1/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 6/20 | 0.40 |
| ▸ | NOS2 | P35228 | 6/20 | 0.40 |
| ▸ | NOS3 | P29474 | 4/20 | 0.40 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL29439586 | 0.91 | — | — | |
| SCHEMBL156276 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL302630 | 0.89 | IDO1 (0.61) | IDO1CYP1A2CYP2D6CYP2C19THPO | |
| Hydrochloric Acid SCHEMBL30732660 | 0.89 | IDO1 (0.61) | IDO1CYP1A2CYP2D6CYP2C19THPO | |
| SCHEMBL28085749 | 0.78 | LOXL2 (0.50) | IDO1LOXL2CYP3A4 | |
| SCHEMBL10526693 | 0.77 | — | — | |
| SCHEMBL923008 | 0.75 | IDO1 (0.47) | IDO1CYP1A2CYP2D6CYP2C19THPO | |
| SCHEMBL171704 | 0.74 | TAAR1 (0.57) | IDO1CYP1A2CYP2D6CYP2C19THPO | |
| SCHEMBL10422276 | 0.74 | LOXL2 (0.71) | PNMTENPP2LOXL2SMN1; SMN2NOS1 | |
| SCHEMBL36008 | 0.74 | LOXL2 (0.71) | PNMTENPP2LOXL2SMN1; SMN2NOS1 |
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-109053455-A | A kind of α-nitro-alpha-aryl ketones compounds synthetic method | 兰州大学 | 2018-12-21 | — | — | CN | disclosed |