Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.45 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.45 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4850585 | 0.82 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP2C9CYP2D6CNR1 | |
| SCHEMBL31012122 | 0.82 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP2C9CYP2D6CNR1 | |
| SCHEMBL2134297 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP2C19CYP2C9CYP2D6CNR1 | |
| SCHEMBL28480565 | 0.78 | MEN1 (0.54) | CYP1A2CYP2C19CYP2C9CYP2D6CNR1 | |
| SCHEMBL2093807 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP2C19CYP2C9CYP2D6CNR1 | |
| SCHEMBL1520903 | 0.78 | IDO1 (0.52) | CYP1A2CYP2C19CYP2C9CYP2D6KMT2A | |
| SCHEMBL8726087 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP2C19CYP2C9CYP2D6CNR1 | |
| SCHEMBL792004 | 0.78 | CYP1A2 (0.53) | CYP1A2CYP2C19CYP2C9CYP2D6CNR1 | |
| SCHEMBL20827646 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP2C19CYP2C9CYP2D6CNR1 | |
| Hydroxyamine SCHEMBL8924246 | 0.77 | MEN1 (0.53) | CYP1A2CYP2C19CYP2C9CYP2D6CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0938479-A1 | QUATERNARY NITROGEN HETEROCYCLES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES | Hoechst Schering AgrEvo GmbH (DE) | 1999-09-01 | — | — | EP | disclosed |
| WO-1998022445-A1 | QUATERNARY NITROGEN HETEROCYCLES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1998-05-28 | — | — | WO | disclosed |