Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 8/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.38 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
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 SCHEMBL4750303 | 0.83 | TAAR1 (0.62) | TAAR1CYP1A2HTR2A | |
| SCHEMBL34462740 | 0.79 | TAAR1 (0.51) | TAAR1ADRA2CCD274HTR2A | |
| SCHEMBL17033191 | 0.77 | HDAC4 (0.43) | CYP1A2 | |
| SCHEMBL9287986 | 0.75 | P2RX7 (0.45) | HTR2A | |
| SCHEMBL8408142 | 0.74 | GABRA1 (0.50) | ADRA2CHTR2A | |
| SCHEMBL9285162 | 0.73 | CSNK2A2 (0.46) | CSNK2A2CSNK2BCSNK2A1CSNK2A3 | |
| SCHEMBL22590593 | 0.73 | CD274 (0.43) | CD274 | |
| SCHEMBL6463455 | 0.73 | TAAR1 (0.43) | TAAR1HTR2A | |
| SCHEMBL2907330 | 0.72 | TAAR1 (0.60) | TAAR1HTR2A | |
| SCHEMBL27837851 | 0.71 | TAAR1 (0.48) | TAAR1HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6225352-B1 | USEFUL AS AGENTS IN THE TREATMENT OF CANCER, ALZHEIMERS DISEASE, THROMBOSIS, INFLAMMATORY DISEASES, AND BACTERIAL RESISTANCE | WARNER-LAMBERT COMPANY | 2001-05-01 | — | — | US | disclosed |
| WO-1998006691-A2 | LOW MOLECULAR WEIGHT DENDRITIC COMPOUNDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1998-02-19 | — | — | WO | disclosed |