Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11213717 | 1.00 | ALDH1A1 (0.37) | ALDH1A1TLR4HSP90AB1 | |
| SCHEMBL11213716 | 1.00 | ALDH1A1 (0.37) | ALDH1A1TLR4HSP90AB1 | |
| SCHEMBL11205631 | 0.80 | ALDH1A1 (0.43) | ALDH1A1TLR4 | |
| SCHEMBL11205628 | 0.80 | ALDH1A1 (0.43) | ALDH1A1TLR4 | |
| SCHEMBL6080709 | 0.73 | — | — | |
| SCHEMBL5791644 | 0.73 | — | — | |
| SCHEMBL35514 | 0.68 | — | — | |
| SCHEMBL13799374 | 0.67 | KMT2A (0.32) | — | |
| SCHEMBL14716453 | 0.67 | TRIM24 (0.36) | ALDH1A1TLR4 | |
| SCHEMBL14418805 | 0.67 | TRIM24 (0.36) | ALDH1A1TLR4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0015412-B1 | UNSATURATED MACROCYCLIC KETONES; THEIR PREPARATION; PREPARATION OF SATURATED MACROCYCLIC KETONES; APPLICATION IN PERFUME AND FLAVOUR COMPOSITIONS OF SOME UNSATURATED MACROCYCLIC KETONES | FIRMENICH SA (CH) | 1983-05-18 | — | — | EP | claimed |
| US-4346023-A | FLAVORS, PERFUMES | FIRMENICH SA (CH) | 1982-08-24 | — | — | US | claimed |
| EP-0015412-A2 | Unsaturated macrocyclic ketones; their preparation; preparation of saturated macrocyclic ketones; application in perfume and flavour compositions of some unsaturated macrocyclic ketones | FIRMENICH SA (CH) | 1980-09-17 | — | — | EP | claimed |