Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12633746 | 1.00 | CYP2C9 (0.46) | CYP2C9CYP1A2CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL20040059 | 0.90 | CYP2C9 (0.46) | CYP2C9CYP1A2CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL2745129 | 0.90 | CYP2C9 (0.46) | CYP2C9CYP1A2CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL2745262 | 0.90 | CYP2C9 (0.46) | CYP2C9CYP1A2CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL2745414 | 0.84 | CYP2C9 (0.51) | CYP2C9CYP1A2CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL2744965 | 0.83 | CYP2C9 (0.56) | CYP2C9CYP1A2CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL2745254 | 0.82 | CYP1A2 (0.59) | CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL2692008 | 0.81 | SLC6A2 (0.56) | CYP2C9CYP1A2CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL12632859 | 0.77 | SLC6A2 (0.44) | PSEN1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2745478 | 0.77 | CYP2C9 (0.48) | CYP2C9CYP1A2CYP2C19ALDH1A1CYP3A4 |
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-2011073154-A1 | NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-23 | — | — | WO | disclosed |