Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | AGXT | P21549 | 2/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.36 |
| ▸ | AOC2 | O75106 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL574565 | 1.00 | TAAR1 (0.41) | TAAR1TRPA1MAOBSPHK1IDO1 | |
| SCHEMBL27435284 | 0.83 | TDP1 (0.42) | IDO1MAOAS1PR1 | |
| SCHEMBL1835392 | 0.83 | TDP1 (0.42) | IDO1MAOAS1PR1 | |
| SCHEMBL574862 | 0.81 | CYP1A2 (0.40) | TAAR1TRPA1 | |
| SCHEMBL3614359 | 0.77 | TAAR1 (0.48) | TAAR1TRPA1MAOBAOC3AOC2 | |
| SCHEMBL3614354 | 0.77 | TAAR1 (0.48) | TAAR1TRPA1MAOBAOC3AOC2 | |
| SCHEMBL28367193 | 0.75 | TAAR1 (0.54) | TAAR1MAOBIDO1AGXTAOC3 | |
| SCHEMBL23182837 | 0.75 | AOC3 (0.44) | TAAR1TRPA1MAOBIDO1AGXT | |
| SCHEMBL321367 | 0.74 | TAAR1 (0.45) | TAAR1MAOBIDO1AGXTAOC3 | |
| SCHEMBL503485 | 0.74 | TAAR1 (0.33) | TAAR1MAOBIDO1AGXTAOC3 |
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-2600853-A1 | COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012016879-A1 | COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-09 | — | — | WO | disclosed |