Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31328397 | 0.81 | TDP1 (0.45) | TRPA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19120785 | 0.81 | KMT2A (0.50) | TRPA1TAAR1PTGS1PTGS2KMT2A | |
| SCHEMBL27378129 | 0.78 | TAAR1 (0.42) | TRPA1TAAR1PTGS1PTGS2KMT2A | |
| SCHEMBL5981068 | 0.78 | TAAR1 (0.42) | TRPA1TAAR1PTGS1PTGS2KMT2A | |
| SCHEMBL17986293 | 0.78 | TAAR1 (0.42) | TRPA1TAAR1PTGS1PTGS2KMT2A | |
| SCHEMBL8653593 | 0.78 | TAAR1 (0.47) | TRPA1TAAR1PTGS1PTGS2KMT2A | |
| SCHEMBL8653664 | 0.76 | KMT2A (0.43) | KMT2ALMNASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL573988 | 0.74 | ELOVL1 (0.33) | TRPA1TAAR1PTGS1PTGS2KMT2A | |
| SCHEMBL8301480 | 0.72 | LMNA (0.43) | TRPA1TAAR1KMT2ALMNADPP4 | |
| SCHEMBL16004786 | 0.71 | IDO1 (0.48) | KMT2ALMNA |
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 |