Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL958781 | 1.00 | CA1 (0.31) | CA1CA2CA4EPHX1TRPA1 | |
| SCHEMBL4608681 | 1.00 | CA1 (0.31) | CA1CA2CA4EPHX1TRPA1 | |
| SCHEMBL20930020 | 1.00 | CA1 (0.31) | CA1CA2CA4EPHX1TRPA1 | |
| SCHEMBL1276250 | 1.00 | CA1 (0.31) | CA1CA2CA4EPHX1TRPA1 | |
| SCHEMBL958827 | 1.00 | CA1 (0.31) | CA1CA2CA4EPHX1TRPA1 | |
| SCHEMBL20930152 | 1.00 | CA1 (0.31) | CA1CA2CA4EPHX1TRPA1 | |
| SCHEMBL696325 | 0.86 | CYP1A2 (0.33) | — | |
| SCHEMBL9240986 | 0.82 | — | — | |
| SCHEMBL7941765 | 0.82 | — | — | |
| SCHEMBL9240998 | 0.82 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6054426-A | Optically active aliphatic alcohols and their use as perfuming ingredients | FIRMENICH SA (CH) | 2000-04-25 | — | — | US | disclosed |
| EP-0449034-B1 | Cyclic ketones, method for their preparation and their application in perfumery | FIRMENICH & CIE (CH) | 1994-12-28 | — | — | EP | disclosed |
| EP-0457022-B1 | Optically active aliphatic alcohols and their application as perfume ingredients | FIRMENICH & CIE (CH) | 1994-08-03 | — | — | EP | disclosed |
| US-5288702-A | Floral or fruit-like odor | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1994-02-22 | — | — | US | disclosed |
| US-5118865-A | CYCLIC KETONES AND THEIR USE AS PERFUMING INGREDIENTS | FIRMENICH SA (CH) | 1992-06-02 | — | — | US | disclosed |
| EP-0457022-A1 | Optically active aliphatic alcohols and their application as perfume ingredients | FIRMENICH SA (CH) | 1991-11-21 | — | — | EP | disclosed |
| EP-0449034-A1 | Cyclic ketones, method for their preparation and their application in perfumery | FIRMENICH SA (CH) | 1991-10-02 | — | — | EP | disclosed |