Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.38 |
| ▸ | EEF2K | O00418 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
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 SCHEMBL7802316 | 0.90 | CYP2C9 (0.36) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2B6 | |
| Cyclohexylamine SCHEMBL8025538 | 0.84 | CYP2C9 (0.33) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2B6 | |
| Cyclohexylamine SCHEMBL8025532 | 0.84 | CYP2C9 (0.33) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2B6 | |
| Lysine SCHEMBL8041442 | 0.80 | GSR (0.43) | — | |
| Lysine SCHEMBL8041446 | 0.80 | GSR (0.43) | — | |
| SCHEMBL143965 | 0.80 | CYP2C9 (0.56) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2B6 | |
| Cyclohexylamine SCHEMBL7792109 | 0.74 | ALDH1A1 (0.50) | ALDH1A3TTRALDH1A1 | |
| Cyclohexylamine SCHEMBL7797971 | 0.74 | CYP2A6 (0.59) | CYP1A2CYP3A4ALDH1A3ALDH1A1 | |
| Cyclohexylamine SCHEMBL7792836 | 0.74 | MEN1 (0.35) | ALDH1A3ALDH1A1 | |
| 4-Hydroxybenzaldehyde SCHEMBL7798433 | 0.74 | ALDH5A1 (0.59) | CYP2C9ALDH1A1 |
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 |