Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4807799 | 0.79 | TDP1 (0.35) | NISCH | |
| SCHEMBL4800694 | 0.77 | S1PR4 (0.33) | ALDH1A1 | |
| SCHEMBL5887423 | 0.70 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL6047581 | 0.69 | ACHE (0.50) | ALDH1A1 | |
| SCHEMBL4799356 | 0.63 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL4888414 | 0.62 | MGLL (0.35) | NISCH | |
| SCHEMBL16817006 | 0.60 | TDP1 (0.36) | ALDH1A1NISCH | |
| SCHEMBL5887196 | 0.59 | HPGD (0.38) | ALDH1A1 | |
| SCHEMBL1404200 | 0.59 | ESR1 (0.42) | ALDH1A1 | |
| SCHEMBL1105473 | 0.58 | ALDH1A1 (0.83) | ALDH1A1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2006501194-A | — | — | 2006-01-12 | — | — | JP | claimed |
| EP-1525190-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-04-27 | — | — | EP | claimed |
| WO-2004007463-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-01-22 | — | — | WO | claimed |