Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
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 SCHEMBL7797967 | 0.89 | GRIK1 (0.39) | RAB9ACNR2L3MBTL1FAAHEPHX1 | |
| 2-Naphthaldehyde SCHEMBL8035927 | 0.85 | GRIK1 (0.46) | EPHX1LMNA | |
| 2-Naphthaldehyde SCHEMBL8035922 | 0.85 | GRIK1 (0.46) | EPHX1LMNA | |
| 2-Naphthaldehyde SCHEMBL8025528 | 0.80 | GRIK1 (0.43) | EPHX1 | |
| 2-Naphthaldehyde SCHEMBL8025531 | 0.80 | GRIK1 (0.43) | EPHX1 | |
| 2-Naphthaldehyde SCHEMBL30229844 | 0.80 | RELA (0.58) | RAB9ARELAL3MBTL1KDM4EALDH1A1 | |
| 2-Naphthaldehyde SCHEMBL28110154 | 0.80 | RELA (0.58) | RAB9ARELAL3MBTL1KDM4EALDH1A1 | |
| 2-Naphthaldehyde SCHEMBL51340 | 0.80 | RELA (0.58) | RAB9ARELAL3MBTL1KDM4EALDH1A1 | |
| 2-Naphthaldehyde SCHEMBL27347080 | 0.80 | RELA (0.58) | RAB9ARELAL3MBTL1KDM4EALDH1A1 | |
| Benzaldehyde SCHEMBL8035182 | 0.79 | ALDH1A1 (0.56) | KDM4EALDH1A1CYP2A6KDM1ASMN1; SMN2 |
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-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |