Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CTSG | P08311 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | SMPD2 | O60906 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL18917590 | 0.79 | ALDH1A1 (0.45) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL10689112 | 0.77 | MAPT (0.41) | CYP2C19CYP1A2 | |
| SCHEMBL8553915 | 0.77 | GABRA1 (0.42) | ALDH1A1CYP2C19HPGDCYP1A2TDP1 | |
| SCHEMBL6051357 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL328867 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL28140482 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL11497859 | 0.76 | CYP2C19 (0.58) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL23299858 | 0.75 | ACP3 (0.42) | ALDH1A1CYP2C19HPGDCYP1A2ACP3 | |
| SCHEMBL10769825 | 0.75 | CYP1A2 (0.37) | ALDH1A1CYP2C19CYP1A2KDM4E | |
| SCHEMBL2802851 | 0.75 | CYP1A2 (0.37) | ALDH1A1CYP2C19HPGDCYP1A2 |
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-2468708-B1 | Catalytic decarboxylative cross-ketonisation of aryl- and alkylcarboxylic acids using iron catalysts | COGNIS IP MAN GMBH (DE) | 2016-11-09 | — | — | EP | claimed |
| EP-2468708-A1 | Catalytic decarboxylative cross-ketonisation of aryl- and alkylcarboxylic acids using iron catalysts | Cognis IP Management GmbH (DE) | 2012-06-27 | — | — | EP | claimed |
| CN-101172964-A | 3-(4-piperidine group) substituted tetrahydronaphthalene derivative compounds and synthesis method thereof | JIEDAWEI SHANGHAI MEDICAL TECH (CN) | 2008-05-07 | — | — | CN | claimed |
| EP-2468708-B1 | Catalytic decarboxylative cross-ketonisation of aryl- and alkylcarboxylic acids using iron catalysts | COGNIS IP MAN GMBH (DE) | 2016-11-09 | — | — | EP | disclosed |