Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL11039789 | 0.94 | — | — | |
| SCHEMBL6905796 | 0.86 | GAA (0.32) | CA1CA2CA4 | |
| SCHEMBL6906233 | 0.82 | SLC6A3 (0.31) | SLC6A3SLC6A4 | |
| SCHEMBL6901643 | 0.80 | GAA (0.33) | — | |
| SCHEMBL6908513 | 0.80 | SLC6A3 (0.30) | SLC6A3SLC6A4 | |
| SCHEMBL6905205 | 0.76 | GAA (0.38) | — | |
| SCHEMBL12676498 | 0.75 | — | — | |
| SCHEMBL6906682 | 0.75 | — | — | |
| SCHEMBL12312031 | 0.73 | CA1 (0.33) | CA1CA2CA4SLC6A3SLC6A4 | |
| SCHEMBL2580713 | 0.73 | CA1 (0.33) | CA1CA2CA4SLC6A3SLC6A4 |
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-0038471-B1 | BETA-GAMMA-UNSATURATED KETONES AND ISOPRENOIC DIENONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PERFUME COMPOUNDS AND FLAVOURINGS | Consortium für elektrochemische Industrie GmbH (DE) | 1984-11-14 | — | — | EP | disclosed |
| US-4413006-A | N-Aryl-N-phenoxy-alkyl-piperazine compounds useful in decreasing intracranial pressure | TANABE SEIYAKU CO., LTD. (JP) | 1983-11-01 | — | — | US | disclosed |
| US-4385185-A | β-γ-Unsaturated ketones and isoprenoid 2,6 diones, a process for producing the same and their use as fragrant and flavoring substances | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1983-05-24 | — | — | US | disclosed |