Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | TSPO | P30536 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.33 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11512451 | 0.85 | TSHR (0.50) | ALDH1A1TSHRAOC3CYP2C19NPC1 | |
| SCHEMBL2103973 | 0.79 | CYP2C19 (0.59) | ALDH1A1TSHRAOC3CYP2C19GLA | |
| SCHEMBL15688969 | 0.78 | ALDH1A1 (0.42) | ALDH1A1TSHRAOC3CYP2C19NPC1 | |
| SCHEMBL5843435 | 0.78 | NR3C2 (0.47) | ALDH1A1TSHRAOC3CYP2C19NPC1 | |
| SCHEMBL863542 | 0.76 | TSHR (0.50) | ALDH1A1TSHRAOC3CYP2C19NPC1 | |
| SCHEMBL11326900 | 0.74 | CNR2 (0.48) | ALDH1A1TSHRAOC3CYP2C19CA2 | |
| SCHEMBL28357225 | 0.73 | TSHR (0.48) | ALDH1A1TSHRAOC3CYP2C19GLA | |
| SCHEMBL8015978 | 0.73 | TSHR (0.75) | ALDH1A1TSHRCYP2C19NPC1RAB9A | |
| SCHEMBL3997979 | 0.72 | TSHR (0.39) | ALDH1A1TSHRAOC3CYP2C19NPC1 | |
| SCHEMBL8012843 | 0.72 | ALDH1A1 (0.41) | ALDH1A1TSHRAOC3CYP2C19NPC1 |
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 | claimed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | claimed |