Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TRPC6 | Q9Y210 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 3/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL7801498 | 0.89 | NPC1 (0.41) | MAOBMAOAALDH1A1NPC1RAB9A | |
| Cyclohexylamine SCHEMBL8035890 | 0.83 | GRIK1 (0.45) | ALDH1A1NPC1RAB9AEPHX1KDM1A | |
| Cyclohexylamine SCHEMBL8035887 | 0.83 | GRIK1 (0.45) | ALDH1A1NPC1RAB9AEPHX1KDM1A | |
| Cyclohexylamine SCHEMBL7798568 | 0.81 | MCOLN3 (0.45) | MAOBMAOAEPHX1FBP1 | |
| SCHEMBL7047 | 0.80 | EGFR (0.52) | ALDH1A1EGFRFBP1KDM4EL3MBTL1 | |
| Water SCHEMBL29120229 | 0.80 | EGFR (0.52) | ALDH1A1EGFRFBP1KDM4EL3MBTL1 | |
| Lysine SCHEMBL8041475 | 0.79 | GSR (0.42) | NPC1RAB9AEPHX1KDM1A | |
| Lysine SCHEMBL8041477 | 0.79 | GSR (0.42) | NPC1RAB9AEPHX1KDM1A | |
| Hydrochloric Acid SCHEMBL28598774 | 0.78 | EGFR (0.50) | ALDH1A1EGFRFBP1KDM4EL3MBTL1 | |
| Cyclohexylamine SCHEMBL7797971 | 0.77 | CYP2A6 (0.59) | ALDH1A1NPC1RAB9AEPHX1KDM4E |
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 |