Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | TPMT | P51580 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7798409 | 0.90 | AKR1C3 (0.44) | AKR1C3AKR1C2ALDH1A1CA12CA1 | |
| SCHEMBL7798808 | 0.87 | ALDH1A1 (0.45) | AKR1C3AKR1C2ALDH1A1CA1CA2 | |
| SCHEMBL7792606 | 0.82 | KDM4E (0.45) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL7792603 | 0.80 | MAPT (0.44) | HPGDALDH1A1CA12CA1CA2 | |
| 4-Methylbenzoic Acid SCHEMBL7798453 | 0.73 | KDM4E (0.46) | ALDH1A1MAPTNPC1GAARAB9A | |
| SCHEMBL7798027 | 0.72 | KDM4E (0.46) | AKR1C3ALDH1A1ACHEMAPTNPC1 | |
| SCHEMBL7798405 | 0.72 | SMN1; SMN2 (0.46) | ALDH1A1RXRARXRBRXRGMAPT | |
| 4-Methylbenzoic Acid SCHEMBL7798452 | 0.71 | GAA (0.43) | HPGDALDH1A1CA12CA1CA2 | |
| Phenethylamine SCHEMBL7799012 | 0.70 | RXRA (0.42) | ALDH1A1RXRARXRBRXRGNPC1 | |
| SCHEMBL7798400 | 0.70 | HDAC1 (0.43) | RXRARXRBRXRGMAPTNPC1 |
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 |