Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 2/20 | 0.64 |
| ▸ | FYN | P06241 | 2/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.64 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.64 |
| ▸ | HTR2C | P28335 | 2/20 | 0.64 |
| ▸ | DRD3 | P35462 | 2/20 | 0.64 |
| ▸ | HTR2B | P41595 | 2/20 | 0.64 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.64 |
| ▸ | EGFR | P00533 | 1/20 | 0.64 |
| ▸ | PGR | P06401 | 1/20 | 0.64 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.64 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.64 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.64 |
| ▸ | AR | P10275 | 1/20 | 0.64 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.64 |
| ▸ | DRD1 | P21728 | 1/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.64 |
| ▸ | HRH2 | P25021 | 1/20 | 0.64 |
| ▸ | PDE4A | P27815 | 1/20 | 0.64 |
| ▸ | HTR2A | P28223 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL4928160 | 1.00 | LCK (0.64) | LCKFYNADORA3MAPK3HTR2C | |
| SCHEMBL9206259 | 0.97 | EGFR (0.61) | LCKFYNADORA3MAPK3HTR2C | |
| SCHEMBL9198078 | 0.86 | HTR2A (0.47) | LCKFYNADORA3MAPK3HTR2C | |
| SCHEMBL10695802 | 0.85 | EGFR (0.46) | LCKFYNADORA3MAPK3HTR2C | |
| SCHEMBL31066921 | 0.83 | CASP1 (0.48) | LCKFYNADORA3MAPK3HTR2C | |
| SCHEMBL4877668 | 0.82 | ALDH1A1 (0.74) | LCKFYNADORA3MAPK3HTR2C | |
| Hydrochloric Acid SCHEMBL10720129 | 0.81 | ALDH1A1 (0.73) | LCKFYNADORA3MAPK3HTR2C | |
| Hydrochloric Acid SCHEMBL9725003 | 0.80 | CASP1 (0.54) | LCKFYNADORA3MAPK3HTR2C | |
| SCHEMBL9200492 | 0.80 | EGFR (0.41) | LCKFYNADORA3MAPK3HTR2C | |
| SCHEMBL9069451 | 0.79 | CYP19A1 (0.52) | LCKFYNADORA3MAPK3HTR2C |
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-2005016243-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN ANTIOXIDANT AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | PHARMACIA CORPORATION (US) | 2005-02-24 | — | — | WO | claimed |