Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 2-Naphthaldehyde. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | UNG | P13051 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.47 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.47 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| 2-Naphthaldehyde SCHEMBL28866061 | 0.94 | RELA (0.61) | RELAALDH1A1KDM4EL3MBTL1RAB9A | |
| 2-Naphthaldehyde SCHEMBL51340 | 0.91 | RELA (0.58) | RELAALDH1A1KDM4EL3MBTL1RAB9A | |
| 2-Naphthaldehyde SCHEMBL30229844 | 0.91 | RELA (0.58) | RELAALDH1A1KDM4EL3MBTL1RAB9A | |
| 2-Naphthaldehyde SCHEMBL27347080 | 0.91 | RELA (0.58) | RELAALDH1A1KDM4EL3MBTL1RAB9A | |
| 2-Naphthaldehyde SCHEMBL28110154 | 0.91 | RELA (0.58) | RELAALDH1A1KDM4EL3MBTL1RAB9A | |
| 2-Naphthaldehyde SCHEMBL28251938 | 0.90 | ALDH1A1 (0.50) | RELAALDH1A1KDM4EL3MBTL1RAB9A | |
| 2-Naphthaldehyde SCHEMBL28746939 | 0.89 | KDM4E (0.53) | RELAALDH1A1KDM4EL3MBTL1RAB9A | |
| 2-Naphthaldehyde SCHEMBL3115512 | 0.89 | RELA (0.56) | RELAALDH1A1KDM4EL3MBTL1RAB9A | |
| 2-Naphthaldehyde SCHEMBL28710840 | 0.89 | RELA (0.56) | RELAALDH1A1KDM4EL3MBTL1RAB9A | |
| 2-Naphthaldehyde SCHEMBL3118600 | 0.89 | RELA (0.56) | RELAALDH1A1KDM4EL3MBTL1RAB9A |
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-1175379-B1 | METHOD FOR THE ASYMMETRIC DIHYDROXYLATION OF OLEFINS, USING OSMIUM CATALYSTS | BAYER CHEMICALS AG (DE) | 2004-01-02 | — | — | EP | disclosed |
| EP-1175379-A1 | METHOD FOR THE ASYMMETRIC DIHYDROXYLATION OF OLEFINS, USING OSMIUM CATALYSTS | Bayer Aktiengesellschaft (DE) | 2002-01-30 | — | — | EP | disclosed |
| WO-2000064844-A1 | METHOD FOR THE ASYMMETRIC DIHYDROXYLATION OF OLEFINS, USING OSMIUM CATALYSTS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-11-02 | — | — | WO | disclosed |