Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.32 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.32 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4535438 | 0.80 | TSHR (0.44) | ALDH1A1TSHRAOC3CA2CARM1 | |
| SCHEMBL1045949 | 0.77 | TSHR (0.48) | ALDH1A1TSHRAOC3CA12CA9 | |
| SCHEMBL5554891 | 0.74 | TSHR (0.56) | ALDH1A1TSHRAOC3CYP2C19MGLL | |
| SCHEMBL6444771 | 0.73 | TSHR (0.37) | ALDH1A1TSHRAOC3HTTMGLL | |
| SCHEMBL2925257 | 0.72 | — | — | |
| SCHEMBL7798534 | 0.71 | ALDH1A1 (0.41) | ALDH1A1TSHRAOC3CA12CA9 | |
| SCHEMBL6554156 | 0.70 | ALDH1A1 (0.42) | ALDH1A1TSHRAOC3SMN1; SMN2CYP2C19 | |
| SCHEMBL11512451 | 0.70 | TSHR (0.50) | ALDH1A1TSHRAOC3CA12CA9 | |
| SCHEMBL11077033 | 0.69 | — | — | |
| SCHEMBL6553674 | 0.69 | G6PC1 (0.44) | ALDH1A1HTTKDM4ESLC6A2SLC6A4 |
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 |