Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.44 |
| ▸ | CASR | P41180 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7792608 | 0.87 | HPGD (0.46) | ALDH1A1AKR1C3AKR1C2CASRACHE | |
| SCHEMBL7798409 | 0.86 | AKR1C3 (0.44) | ALDH1A1AKR1C3AKR1C2CASRACHE | |
| SCHEMBL3976767 | 0.77 | ACHE (0.54) | ALDH1A1TSHRACHECA1CA2 | |
| SCHEMBL29975311 | 0.77 | ACHE (0.54) | ALDH1A1TSHRACHECA1CA2 | |
| SCHEMBL3635226 | 0.77 | ACHE (0.54) | ALDH1A1TSHRACHECA1CA2 | |
| SCHEMBL1719900 | 0.77 | ACHE (0.54) | ALDH1A1TSHRACHECA1CA2 | |
| SCHEMBL7798806 | 0.76 | KDM4E (0.60) | ALDH1A1TSHRCA1CA2KMT2A | |
| Hydrochloric Acid SCHEMBL1472571 | 0.75 | ACHE (0.53) | ALDH1A1TSHRACHECA1CA2 | |
| Hydrochloric Acid SCHEMBL3710439 | 0.75 | ACHE (0.53) | ALDH1A1TSHRACHECA1CA2 | |
| Bromide SCHEMBL11715300 | 0.75 | ACHE (0.53) | ALDH1A1TSHRACHECA1CA2 |
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 3 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 |
| US-6127381-A | A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY | LION BIOSCIENCE AG (DE) | 2000-10-03 | — | — | US | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |