Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.59 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.57 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3639206 | 0.85 | SIGMAR1 (0.61) | TAAR1SIGMAR1SLC18A2CYP2D6SLC6A2 | |
| SCHEMBL13416485 | 0.83 | SIGMAR1 (0.63) | TAAR1SIGMAR1SLC18A2CYP2D6SLC6A2 | |
| SCHEMBL13416383 | 0.83 | SIGMAR1 (0.63) | TAAR1SIGMAR1SLC18A2CYP2D6SLC6A2 | |
| SCHEMBL20403618 | 0.82 | TAAR1 (0.52) | TAAR1SIGMAR1SLC18A2CYP2D6SLC6A2 | |
| SCHEMBL4744231 | 0.81 | SIGMAR1 (0.61) | TAAR1SIGMAR1SLC18A2CYP2D6SLC6A2 | |
| SCHEMBL4741499 | 0.81 | TRPA1 (0.46) | TAAR1SIGMAR1SLC18A2CYP2D6SLC6A2 | |
| SCHEMBL22857424 | 0.79 | SIGMAR1 (0.53) | TAAR1SIGMAR1SLC18A2CYP2D6SLC6A2 | |
| SCHEMBL4744203 | 0.79 | TAAR1 (0.47) | TAAR1CYP2D6 | |
| Dextroamphetamine SCHEMBL1435827 | 0.77 | TAAR1 (0.86) | TAAR1SIGMAR1SLC18A2CYP2D6SLC6A2 | |
| SCHEMBL20878548 | 0.77 | TAAR1 (0.59) | TAAR1SIGMAR1SLC18A2CYP2D6SLC6A2 |
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-2061460-A2 | 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | Albany Molecular Research, Inc. (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008019372-A2 | 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2008-02-14 | — | — | WO | disclosed |