Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL2906238 | 0.87 | TRPA1 (0.37) | PTGS1ALDH1A1TDP1TRPA1 | |
| SCHEMBL31482316 | 0.83 | TRPA1 (0.32) | TRPA1 | |
| SCHEMBL2585491 | 0.80 | PTGS1 (0.36) | PTGS1 | |
| SCHEMBL31482319 | 0.80 | — | — | |
| SCHEMBL19260512 | 0.79 | PTGS1 (0.33) | PTGS1TRPA1 | |
| SCHEMBL2590604 | 0.77 | PTGS1 (0.35) | PTGS1 | |
| SCHEMBL14759042 | 0.76 | PTGS1 (0.34) | PTGS1 | |
| SCHEMBL12159412 | 0.76 | — | — | |
| SCHEMBL16218396 | 0.75 | — | — | |
| SCHEMBL15130187 | 0.75 | — | — |
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-0973713-B1 | METHOD FOR PRODUCING AROMATIC ALDEHYDES | COGNIS DEUTSCHLAND GMBH (DE) | 2002-06-12 | — | — | EP | disclosed |
| US-6313354-B1 | PERFUME | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-11-06 | — | — | US | disclosed |