Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.54 |
| ▸ | ABAT | P80404 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.43 |
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 SCHEMBL7798582 | 0.92 | ALDH5A1 (0.46) | ALDH5A1ABATMAPTALDH1A1KDM4E | |
| Cyclohexylamine SCHEMBL8025550 | 0.88 | ALDH5A1 (0.42) | ALDH5A1ABATMAPTALDH1A1KDM4E | |
| Cyclohexylamine SCHEMBL8025542 | 0.88 | ALDH5A1 (0.42) | ALDH5A1ABATMAPTALDH1A1KDM4E | |
| SCHEMBL531632 | 0.84 | ALDH5A1 (0.73) | ALDH5A1ABATMAPTALDH1A1KDM4E | |
| SCHEMBL29687930 | 0.84 | ALDH5A1 (0.73) | ALDH5A1ABATMAPTALDH1A1KDM4E | |
| Lysine SCHEMBL8037518 | 0.84 | GRM4 (0.43) | ALDH5A1ABATXDH | |
| Lysine SCHEMBL8037517 | 0.84 | GRM4 (0.43) | ALDH5A1ABATXDH | |
| Cyclohexylamine SCHEMBL7792908 | 0.81 | VCAM1 (0.70) | ALDH5A1ABATMAPTALDH1A1CYP1A2 | |
| SCHEMBL7442127 | 0.81 | ALDH5A1 (0.56) | ALDH5A1ABATMAPTALDH1A1KDM4E | |
| Nitrophenolate SCHEMBL7207165 | 0.77 | GPR35 (0.46) | MAPTALDH1A1KDM4EHSD17B10GPR35 |
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 |