Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | TDO2 | P48775 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ERN1 | O75460 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7582709 | 0.84 | CYP2A6 (0.53) | CYP2A6CYP3A4CYP1A2ALDH1A1PDK2 | |
| SCHEMBL15624620 | 0.84 | TDO2 (0.56) | CYP2A6TDO2CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL24568794 | 0.83 | CYP11B1 (0.45) | CYP2A6BCHETDO2CYP3A4CYP1A2 | |
| SCHEMBL2665898 | 0.81 | CYP2A6 (0.51) | CYP2A6TDO2CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL2649040 | 0.81 | CYP11B2 (0.54) | CYP2A6TDO2CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL16574106 | 0.81 | CYP2A6 (0.51) | CYP2A6CYP3A4CYP1A2ALDH1A1CYP11B2 | |
| SCHEMBL2649494 | 0.81 | AXL (0.56) | CYP2A6TDO2CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL3946385 | 0.81 | IDO1 (0.53) | CYP2A6TDO2CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL24568403 | 0.81 | KDM4E (0.47) | BCHECYP3A4CYP1A2ALDH1A1CYP11B2 | |
| SCHEMBL7950201 | 0.80 | PDK2 (0.47) | CYP2A6BCHETDO2CYP3A4CYP1A2 |
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-106132950-A | Compounds and methods of use | 麦迪韦逊技术股份有限公司 | 2016-11-16 | — | — | CN | disclosed |