Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14690339 | 0.81 | CSNK1E (0.44) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL9427101 | 0.81 | TRPA1 (0.47) | TRPA1TAAR1SIGMAR1SLC6A2MAOA | |
| SCHEMBL3669842 | 0.80 | ALDH1A1 (0.42) | TRPA1SLC6A4TP53MEN1KMT2A | |
| SCHEMBL8776657 | 0.80 | TRPA1 (0.43) | TRPA1TAAR1MAOA | |
| SCHEMBL997694 | 0.80 | MC4R (0.47) | TRPA1TAAR1SIGMAR1SLC6A2MAOA | |
| SCHEMBL27842054 | 0.80 | SIGMAR1 (0.44) | TRPA1TAAR1SIGMAR1SLC6A2MAOA | |
| SCHEMBL15242552 | 0.79 | ANPEP (0.50) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL6569511 | 0.79 | TRPA1 (0.48) | TRPA1TAAR1SIGMAR1SLC6A2MAOA | |
| SCHEMBL1774298 | 0.79 | TAAR1 (0.48) | TRPA1TAAR1SIGMAR1SLC6A2MAOA | |
| SCHEMBL27783457 | 0.79 | TRPA1 (0.46) | TRPA1TAAR1SIGMAR1SLC6A2MAOA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0213633-A1 | Alcohols and esters from the reaction of butadiene with magnesium and alkyl halogenides, their production and their use as perfumes | Consortium für elektrochemische Industrie GmbH (DE) | 1987-03-11 | — | — | EP | claimed |
| EP-0809647-A1 | CHIRAL ORGANOMETALLIC COMPOUNDS | ZENECA LIMITED (GB) | 1997-12-03 | — | — | EP | disclosed |
| WO-1996025420-A1 | CHIRAL ORGANOMETALLIC COMPOUNDS | ZENECA LIMITED (GB) | 1996-08-22 | — | — | WO | disclosed |
| EP-0213633-B1 | ALCOHOLS AND ESTERS FROM THE REACTION OF BUTADIENE WITH MAGNESIUM AND ALKYL HALOGENIDES, THEIR PRODUCTION AND THEIR USE AS PERFUMES | Consortium für elektrochemische Industrie GmbH (DE) | 1989-01-18 | — | — | EP | disclosed |