Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.47 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | HTR1B | P28222 | 2/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | LOX | P28300 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL5039451 | 0.79 | CYP2A6 (0.47) | CYP2A6HTR1B | |
| SCHEMBL5036056 | 0.78 | — | — | |
| SCHEMBL5039863 | 0.76 | CYP2A6 (0.32) | CYP2A6 | |
| SCHEMBL5039591 | 0.74 | — | — | |
| SCHEMBL5036768 | 0.69 | KMT2A (0.34) | CYP3A4 | |
| SCHEMBL5035904 | 0.69 | KDM4E (0.36) | CYP2A6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17104854 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL13032428 | 0.65 | CYP2A6 (0.45) | CYP2A6ASIC3LOXL2CA2 | |
| SCHEMBL1253252 | 0.64 | CYP2A6 (0.47) | CYP2A6ASIC3LOXL2CYP2E1CYP3A4 | |
| SCHEMBL17080670 | 0.64 | CYP2A6 (0.58) | CYP2A6ASIC3LOXL2CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018048930-A1 | LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF | PHARMAKEA, INC. (US) | 2018-03-15 | — | — | WO | disclosed |