Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | BTN3A1 | O00481 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL8703117 | 1.00 | TRPA1 (0.46) | TRPA1BTN3A1ALDH1A1L3MBTL1GLA | |
| SCHEMBL8698455 | 0.94 | TRPA1 (0.41) | TRPA1BTN3A1ALDH1A1MAPT | |
| SCHEMBL8698464 | 0.94 | TRPA1 (0.41) | TRPA1BTN3A1ALDH1A1MAPT | |
| SCHEMBL8704284 | 0.84 | TRPA1 (0.47) | TRPA1BTN3A1ALDH1A1MAPT | |
| SCHEMBL8697581 | 0.84 | TRPA1 (0.47) | TRPA1BTN3A1ALDH1A1MAPT | |
| SCHEMBL8698398 | 0.84 | TRPA1 (0.47) | TRPA1BTN3A1ALDH1A1MAPT | |
| SCHEMBL8701953 | 0.80 | ABCB1 (0.46) | ALDH1A1MAPT | |
| SCHEMBL8697860 | 0.79 | GLA (0.46) | ALDH1A1L3MBTL1GLAMAPTGAA | |
| SCHEMBL8697851 | 0.79 | GLA (0.46) | ALDH1A1L3MBTL1GLAMAPTGAA | |
| SCHEMBL8698776 | 0.76 | ALDH1A1 (0.46) | TRPA1BTN3A1ALDH1A1MAPT |
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-1998008837-A1 | PHENYLBUTANOL DERIVATIVES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FARMACON, INC. (US) | 1998-03-05 | — | — | WO | claimed |
| WO-1998008837-A1 | PHENYLBUTANOL DERIVATIVES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FARMACON, INC. (US) | 1998-03-05 | — | — | WO | disclosed |