Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL128086 | 0.98 | TAAR1 (0.35) | TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL27932397 | 0.96 | TAAR1 (0.34) | TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL27501269 | 0.85 | ALDH1A1 (0.37) | TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL3616684 | 0.82 | TAAR1 (0.33) | TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL2651837 | 0.82 | TRPA1 (0.36) | TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL3603367 | 0.82 | TAAR1 (0.33) | TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL3608914 | 0.82 | TAAR1 (0.33) | TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL1071752 | 0.80 | TRPA1 (0.35) | TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL3016224 | 0.80 | SIGMAR1 (0.45) | TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL4967174 | 0.79 | MAOB (0.34) | TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1 |
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-0584108-A1 | PHARMACEUTICAL COMPOSITION COMPRISING IBUPROFEN SALT | The Boots Company PLC (GB) | 1994-03-02 | — | — | EP | claimed |
| WO-1992020334-A1 | PHARMACEUTICAL COMPOSITION COMPRISING IBUPROFEN SALT | THE BOOTS COMPANY PLC (GB) | 1992-11-26 | — | — | WO | claimed |