Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL458972 | 0.79 | CYP2A6 (0.50) | CYP2A6LOXL2GLA | |
| SCHEMBL3335656 | 0.79 | LOXL2 (0.35) | CYP2A6LOXL2GLA | |
| SCHEMBL16959461 | 0.76 | MEN1 (0.38) | CYP2A6LOXL2GLA | |
| SCHEMBL28049287 | 0.75 | GRM5 (0.31) | CYP2A6LOXL2 | |
| SCHEMBL16958767 | 0.75 | GRM5 (0.33) | CYP2A6ACHELOXL2 | |
| SCHEMBL28302773 | 0.75 | LOXL2 (0.50) | CYP2A6LOXL2 | |
| SCHEMBL6965146 | 0.75 | CYP2A6 (0.31) | CYP2A6LOXL2 | |
| SCHEMBL6958311 | 0.75 | KDM4E (0.34) | CYP2A6LOXL2 | |
| SCHEMBL4935305 | 0.74 | GLA (0.50) | GLA | |
| SCHEMBL9644543 | 0.74 | GLA (0.36) | CYP2A6LOXL2GLA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |