Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.53 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | F11 | P03951 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | XPO1 | O14980 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28746466 | 1.00 | TRPM8 (0.53) | TRPM8GABRA2GABRB2L3MBTL1F11 | |
| SCHEMBL28746434 | 0.84 | MAPT (0.56) | TRPM8GABRA2GABRB2CYP1A2CYP2C9 | |
| SCHEMBL25328154 | 0.84 | CYP1A2 (0.66) | GABRA2GABRB2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28746479 | 0.83 | F11 (0.66) | F11CYP1A2ALDH1A1PKMKDM4E | |
| SCHEMBL29565494 | 0.83 | F11 (0.66) | F11CYP1A2ALDH1A1PKMKDM4E | |
| SCHEMBL25325875 | 0.82 | F11 (0.72) | F11ALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL4785279 | 0.82 | TRPM8 (0.47) | TRPM8GABRA2GABRB2L3MBTL1CYP1A2 | |
| SCHEMBL25327296 | 0.78 | F11 (0.42) | F11CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL30638337 | 0.78 | F11 (0.42) | F11CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28746461 | 0.77 | MAPK1 (0.53) | L3MBTL1CYP1A2CYP2C9CYP2C19ALDH1A1 |
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-114539158-A | FXIa inhibitor compound and preparation method and application thereof | 沈阳药科大学 | 2022-05-27 | — | — | CN | disclosed |