Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ACP3 | P15309 | 1/20 | 0.36 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1734834 | 0.85 | CHRM2 (0.35) | — | |
| SCHEMBL3798533 | 0.84 | HSD17B10 (0.33) | CYP2D6CYP1A2CYP2C19CYP2C9TDP1 | |
| SCHEMBL3000347 | 0.78 | — | — | |
| SCHEMBL1734019 | 0.74 | — | — | |
| SCHEMBL726031 | 0.73 | CHRM2 (0.42) | HPGD | |
| SCHEMBL1420832 | 0.72 | SMN1; SMN2 (0.45) | CYP2D6HPGD | |
| SCHEMBL727665 | 0.72 | CYP2D6 (0.44) | CYP2D6CYP1A2CYP2C19CYP2C9ACHE | |
| SCHEMBL3005857 | 0.72 | FAAH (0.32) | — | |
| Hydrochloric Acid SCHEMBL10433815 | 0.71 | SMN1; SMN2 (0.48) | CYP2D6HPGD | |
| SCHEMBL1423105 | 0.71 | SIGMAR1 (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4808401-B2 | — | — | 2011-11-02 | — | — | JP | claimed |
| JP-2005535695-A | — | — | 2005-11-24 | — | — | JP | claimed |
| EP-1527038-A1 | PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS | Lucite International UK Limited (GB) | 2005-05-04 | — | — | EP | claimed |
| WO-2004014834-A1 | PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2004-02-19 | — | — | WO | claimed |
| EP-1534427-A1 | AN ADAMANTYL CATALYTIC SYSTEM | Lucite International UK Limited (GB) | 2005-06-01 | — | — | EP | disclosed |
| EP-1527038-A1 | PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS | Lucite International UK Limited (GB) | 2005-05-04 | — | — | EP | disclosed |
| WO-2004014552-A1 | A PHOSPHA-ADAMANTANE (S) CATALYTIC SYSTEM | LUCITE INTERNATIONAL UK LIMITED (GB) | 2004-02-19 | — | — | WO | disclosed |
| WO-2004014834-A1 | PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2004-02-19 | — | — | WO | disclosed |