Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | TUBB1 | Q9H4B7 | 6/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 2/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.43 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.42 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
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 SCHEMBL7800101 | 0.91 | ALDH1A1 (0.42) | ALDH1A1TSHRTUBB1KMT2AHPGD | |
| Cyclohexylamine SCHEMBL7792109 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TSHRKMT2AHPGDMEN1 | |
| SCHEMBL29400600 | 0.83 | ALDH1A1 (0.68) | ALDH1A1TSHRTUBB1KMT2AHPGD | |
| Isovanillin SCHEMBL7799829 | 0.83 | ALDH1A1 (0.69) | ALDH1A1TSHRTUBB1KMT2AHPGD | |
| SCHEMBL435689 | 0.83 | ALDH1A1 (0.68) | ALDH1A1TSHRTUBB1KMT2AHPGD | |
| SCHEMBL7531959 | 0.83 | ALDH1A1 (0.68) | ALDH1A1TSHRTUBB1KMT2AHPGD | |
| Lysine SCHEMBL8039183 | 0.83 | GSR (0.39) | ALDH1A1TSHRTUBB1KMT2AHPGD | |
| Lysine SCHEMBL8039180 | 0.83 | GSR (0.39) | ALDH1A1TSHRTUBB1KMT2AHPGD | |
| Cyclohexylamine SCHEMBL7798674 | 0.82 | SMN1; SMN2 (0.45) | ALDH1A1KMT2AMEN1KDM1AALDH1A3 | |
| Isovanillin SCHEMBL7801472 | 0.76 | ALDH1A1 (0.58) | ALDH1A1TSHRTUBB1KMT2AHPGD |
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 |