Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.59 |
| ▸ | FABP1 | P07148 | 1/20 | 0.57 |
| ▸ | FABP6 | P51161 | 1/20 | 0.57 |
| ▸ | DRD2 | P14416 | 5/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.51 |
| ▸ | DRD3 | P35462 | 5/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.51 |
| ▸ | ITGAV | P06756 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10858528 | 1.00 | CYP1A2 (0.63) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL10861718 | 0.98 | CYP1A2 (0.66) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL4715114 | 0.91 | CYP1A2 (0.54) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL7447683 | 0.91 | ALOX12 (0.60) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL10887684 | 0.91 | CYP1A2 (0.54) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL10606557 | 0.91 | ALOX12 (0.60) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL6247046 | 0.91 | CYP1A2 (0.54) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL6301834 | 0.91 | CYP1A2 (0.54) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL1573818 | 0.91 | ALOX12 (0.60) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL10607875 | 0.91 | ALOX12 (0.60) | CYP1A2CYP2C19CXCR4FABP1FABP6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5086000-A | PROCESS FOR THE PREPARATION OF ALKYLENE-BIS(2-PYRIDYLAMINE) COMPOUNDS AND KARL FISCHER REAGENTS AND METHODS UTILIZING SUCH COMPOUNDS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-02-04 | — | — | US | disclosed |
| EP-0433642-A1 | Karl-Fischer reagent and process for the determination of water by using the reagent | MERCK PATENT GmbH (DE) | 1991-06-26 | — | — | EP | disclosed |
| US-4594421-A | Substituted in position 2 with a phenyl compound | RBS PHARMA (ROGER BELLON SCHOUM) S.P.A. (IT) | 1986-06-10 | — | — | US | disclosed |
| EP-0151094-A2 | Pharmacologically active imidazopyridine compounds | RBS PHARMA (ROGER BELLON SCHOUM) S.p.A. (IT) | 1985-08-07 | — | — | EP | disclosed |