Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 1/20 | 0.38 |
| ▸ | CLK3 | P49761 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | NMT2 | O60551 | 1/20 | 0.36 |
| ▸ | NMT1 | P30419 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1582985 | 0.90 | KCNH2 (0.42) | DRD2DRD4DRD3HTR1AIDO1 | |
| SCHEMBL12720559 | 0.89 | NMT2 (0.42) | IDO1CLK2CLK3DYRK1AGRIN1 | |
| Hydrochloric Acid SCHEMBL1582749 | 0.89 | NMT2 (0.42) | IDO1CLK2CLK3DYRK1AGRIN1 | |
| SCHEMBL1582786 | 0.87 | EGLN1 (0.40) | DRD2DRD4DRD3HTR1AEGLN1 | |
| SCHEMBL1583055 | 0.87 | IDO1 (0.42) | DRD2DRD4DRD3HTR1AIDO1 | |
| Hydrochloric Acid SCHEMBL1582515 | 0.83 | CLK2 (0.39) | DRD2DRD4DRD3HTR1ACLK2 | |
| SCHEMBL12720973 | 0.82 | HTR1A (0.39) | DRD2DRD4DRD3HTR1ACLK2 | |
| Hydrochloric Acid SCHEMBL1582681 | 0.81 | ADRA1D (0.41) | DRD2DRD4DRD3HTR1ACLK2 | |
| SCHEMBL12720932 | 0.80 | NMT2 (0.41) | KCNH2GRIN2BNMT2NMT1 | |
| Hydrochloric Acid SCHEMBL1582654 | 0.79 | NMT2 (0.41) | KCNH2GRIN2BNMT2NMT1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1292592-B1 | HETEROCYCLIC AMINOALKYL PYRIDINE DERIVATIVES AS PSYCHOPHARMACEUTICALS | MERCK PATENT GMBH (DE) | 2011-04-20 | — | — | EP | claimed |