Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5531778 | 1.00 | CYP1A2 (0.35) | CYP1A2CYP2C19KDM4ETDP1 | |
| SCHEMBL5529364 | 1.00 | CYP1A2 (0.35) | CYP1A2CYP2C19KDM4ETDP1 | |
| SCHEMBL5532026 | 1.00 | CYP1A2 (0.35) | CYP1A2CYP2C19KDM4ETDP1 | |
| SCHEMBL3203996 | 0.87 | — | — | |
| SCHEMBL2431350 | 0.87 | — | — | |
| SCHEMBL5531114 | 0.87 | — | — | |
| SCHEMBL21891256 | 0.75 | CYP1A2 (0.35) | CYP1A2CYP2C19KDM4ETDP1 | |
| SCHEMBL14065497 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL12518650 | 0.70 | CYP1A2 (0.31) | CYP1A2CYP2C19 | |
| SCHEMBL10171600 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0940402-B1 | Quaternary polycyclic polyammonium salts and process for their preparation | CLARIANT PRODUKTE DEUTSCHLAND (DE) | 2007-01-10 | — | — | EP | disclosed |
| US-6252066-B1 | Quarternary polycyclic polyammonium salts and process for their preparation | WEYLCHEM WIESBADEN GMBH (DE) | 2001-06-26 | — | — | US | disclosed |
| EP-0940402-A2 | Quaternary polycyclic polyammonium salts and process for their preparation | Clariant GmbH (DE) | 1999-09-08 | — | — | EP | disclosed |