Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.37 |
| ▸ | GAK | O14976 | 1/20 | 0.37 |
| ▸ | STK16 | O75716 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | AXL | P30530 | 1/20 | 0.37 |
| ▸ | NEK2 | P51955 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13188249 | 0.88 | AAK1 (0.45) | CYP2A6CYP2C9CHRNB2CYP2B6CYP2C19 | |
| SCHEMBL3715859 | 0.87 | AAK1 (0.44) | CHRNA7CYP2A6CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL13188583 | 0.86 | MKNK1 (0.52) | CHRNA7SMPD1MKNK1MKNK2HDAC1 | |
| SCHEMBL3713525 | 0.85 | MEN1 (0.43) | CHRNA7FFAR1AAK1SMPD1 | |
| SCHEMBL13188626 | 0.85 | AAK1 (0.44) | FFAR1AAK1SMPD1PIK3C3GAK | |
| SCHEMBL3716448 | 0.84 | TNIK (0.42) | CHRNB2CHRNA4FFAR1AAK1SMPD1 | |
| SCHEMBL3710648 | 0.81 | SMPD1 (0.40) | FFAR1AAK1SMPD1GAK | |
| SCHEMBL3716930 | 0.79 | CCNE2 (0.43) | — | |
| SCHEMBL3714257 | 0.78 | CYP3A4 (0.47) | — | |
| SCHEMBL3711625 | 0.78 | FFAR1 (0.36) | FFAR1AAK1SMPD1GAKSTK16 |
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-2010100475-A1 | HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2010-09-10 | — | — | WO | disclosed |