Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 1/20 | 0.48 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.48 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.48 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.48 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.48 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.48 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 6/20 | 0.46 |
| ▸ | DRD3 | P35462 | 6/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7320768 | 1.00 | PRKAB2 (0.48) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL7399813 | 1.00 | PRKAB2 (0.48) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| Hydrochloric Acid SCHEMBL7316555 | 0.99 | PRKAB2 (0.47) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL14112677 | 0.88 | PRKAB2 (0.52) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL8213259 | 0.88 | PRKAB2 (0.52) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| Hydrochloric Acid SCHEMBL4622694 | 0.87 | PRKAB2 (0.51) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| Hydrochloric Acid SCHEMBL4619773 | 0.87 | PRKAB2 (0.51) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL8215700 | 0.86 | PRKAB2 (0.53) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL6627920 | 0.85 | HTR1A (0.47) | HTR1AHTR1DDRD2DRD3CHRM2 | |
| SCHEMBL6626738 | 0.85 | KDM4E (0.48) | HTR1AHTR1DDRD2DRD3CHRM2 |
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-1123933-A1 | 2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chromane as CNS active agent | MERCK PATENT GmbH (DE) | 2001-08-16 | — | — | EP | disclosed |
| US-5767132-A | CENTRAL NERVOUS SYSTEM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-06-16 | — | — | US | disclosed |
| EP-0707007-A1 | Amino(thio)ether derivatives as CNS active agents | MERCK PATENT GmbH (DE) | 1996-04-17 | — | — | EP | disclosed |