Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | MME | P08473 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9671856 | 1.00 | CYP2D6 (0.46) | CYP2D6SRCLMNAMAPK1MME | |
| SCHEMBL6689864 | 0.91 | CYP2D6 (0.44) | CYP2D6SRCLMNAMAPK1MME | |
| SCHEMBL2454614 | 0.89 | CYP2D6 (0.52) | CYP2D6SRCLMNAMAPK1MME | |
| SCHEMBL27454808 | 0.84 | CYP2D6 (0.43) | CYP2D6SRCLMNAMAPK1MME | |
| SCHEMBL6279955 | 0.84 | ALOX5 (0.46) | CYP2D6SRCLMNAHPGDNOS2 | |
| SCHEMBL3236310 | 0.81 | KMT2A (0.56) | LMNAMMEPTGS2PTGS1ALDH1A1 | |
| SCHEMBL11390783 | 0.81 | BRD4 (0.53) | CYP2D6SRCLMNAMAPK1PTGS2 | |
| SCHEMBL2560587 | 0.80 | AKR1C3 (0.47) | LMNAMAPK1PTGS2HPGDPTGS1 | |
| SCHEMBL27948397 | 0.79 | CYP2D6 (0.46) | CYP2D6SRCLMNAMAPK1MME | |
| SCHEMBL4568744 | 0.78 | CYP3A4 (0.49) | CYP2D6SRCLMNAMAPK1MME |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1505156-B1 | Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester | CONSORTIUM ELEKTROCHEM IND (DE) | 2005-12-07 | — | — | EP | disclosed |
| EP-1505156-A1 | Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester | Consortium für elektrochemische Industrie GmbH (DE) | 2005-02-09 | — | — | EP | disclosed |