Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | DRD4 | P21917 | 3/20 | 0.38 |
| ▸ | DRD3 | P35462 | 3/20 | 0.38 |
| ▸ | NMT2 | O60551 | 1/20 | 0.38 |
| ▸ | NMT1 | P30419 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1582892 | 0.99 | ADRA1D (0.40) | KCNH2ALOX5APFEN1HTR1AADRA1D | |
| SCHEMBL12720973 | 0.89 | HTR1A (0.39) | HTR1AADRA1DGRIN2BDRD2DRD4 | |
| SCHEMBL1583166 | 0.89 | DRD2 (0.40) | HTR1AADRA1DDRD2DRD4DRD3 | |
| Hydrochloric Acid SCHEMBL1582681 | 0.88 | ADRA1D (0.41) | HTR1AADRA1DGRIN2BDRD2DRD4 | |
| Hydrochloric Acid SCHEMBL1582377 | 0.88 | ADRA1D (0.40) | HTR1AADRA1DDRD2DRD4DRD3 | |
| SCHEMBL1582402 | 0.85 | DRD2 (0.57) | KCNH2HTR1ADRD2DRD4DRD3 | |
| Hydrochloric Acid SCHEMBL1582976 | 0.84 | DRD2 (0.56) | KCNH2HTR1AADRA1DDRD2DRD4 | |
| SCHEMBL1583519 | 0.83 | GLRA3 (0.45) | KCNH2HTR1AADRA1DGRIN2BCYP2D6 | |
| SCHEMBL1582985 | 0.83 | KCNH2 (0.42) | KCNH2HTR1AGRIN2BDRD2DRD4 | |
| Hydrochloric Acid SCHEMBL1582764 | 0.82 | GLRA3 (0.45) | KCNH2HTR1AADRA1DGRIN2BCYP2D6 |
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-1292592-B1 | HETEROCYCLIC AMINOALKYL PYRIDINE DERIVATIVES AS PSYCHOPHARMACEUTICALS | MERCK PATENT GMBH (DE) | 2011-04-20 | — | — | EP | claimed |
| EP-1292592-B1 | HETEROCYCLIC AMINOALKYL PYRIDINE DERIVATIVES AS PSYCHOPHARMACEUTICALS | MERCK PATENT GMBH (DE) | 2011-04-20 | — | — | EP | disclosed |