Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 3/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL458357 | 0.79 | CYP2A6 (0.48) | CYP2A6LOXL2ALDH1A1CA12CA2 | |
| SCHEMBL28267186 | 0.79 | LOXL2 (0.48) | CYP2A6LOXL2ALDH1A1CA12CA2 | |
| SCHEMBL16954973 | 0.76 | CYP2A6 (0.41) | CYP2A6LOXL2ALDH1A1KCNJ1KCNH2 | |
| SCHEMBL6327803 | 0.73 | TSHR (0.44) | CYP2A6ALDH1A1TSHR | |
| SCHEMBL350177 | 0.71 | — | — | |
| SCHEMBL623156 | 0.69 | CA2 (0.39) | CYP2A6LOXL2ALDH1A1CA12CA2 | |
| SCHEMBL6384212 | 0.68 | MAOB (0.49) | CYP2A6LOXL2ALDH1A1TSHRMAOA | |
| SCHEMBL351012 | 0.67 | — | — | |
| SCHEMBL596317 | 0.67 | — | — | |
| SCHEMBL596925 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105261789-B | electrolyte and lithium ion battery including the electrolyte | 宁德新能源科技有限公司 | 2018-07-27 | — | — | CN | disclosed |
| CN-105261789-A | Electrolyte and lithium ion battery including same | NINGDE AMPEREX TECHNOLOGY LTD | 2016-01-20 | — | — | CN | disclosed |