Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.56 |
| ▸ | MAOB | P27338 | 6/20 | 0.50 |
| ▸ | MAOA | P21397 | 5/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | SNCA | P37840 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
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 SCHEMBL16702960 | 0.98 | SLC6A2 (0.55) | SLC6A2ADRA2BADRA2CSLC6A4ADRA1A | |
| SCHEMBL29137651 | 0.88 | SIGMAR1 (0.50) | SLC6A2ADRA2BADRA2CSLC6A4ADRA1A | |
| SCHEMBL29317137 | 0.85 | SIGMAR1 (0.51) | SLC6A2ADRA2BADRA2CSLC6A4ADRA1A | |
| SCHEMBL19113479 | 0.85 | SIGMAR1 (0.51) | SLC6A2ADRA2BADRA2CSLC6A4ADRA1A | |
| SCHEMBL28406689 | 0.84 | SIGMAR1 (0.77) | SLC6A2ADRA2BADRA2CSLC6A4ADRA1A | |
| SCHEMBL20482051 | 0.84 | SIGMAR1 (0.46) | SLC6A2ADRA2BADRA2CSLC6A4ADRA1A | |
| SCHEMBL19113713 | 0.84 | MAOB (0.66) | SLC6A2ADRA2BADRA2CSLC6A4ADRA1A | |
| SCHEMBL22398926 | 0.83 | SIGMAR1 (0.57) | SLC6A2ADRA2BADRA2CSLC6A4ADRA1A | |
| SCHEMBL24450950 | 0.83 | SIGMAR1 (0.43) | SLC6A2ADRA2BADRA2CSLC6A4ADRA1A | |
| SCHEMBL2943663 | 0.83 | SIGMAR1 (0.71) | SLC6A2ADRA2BADRA2CSLC6A4ADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010129505-A2 | NAPTHYLENE INHIBITORS OF CYCLOOXYGENASE | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-11-11 | — | — | WO | disclosed |
| US-4044049-A | Phenyl benzoic acid compounds | MERCK & CO., INC. (US) | 1977-08-23 | — | — | US | disclosed |