Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| 4-Methylbenzoic Acid SCHEMBL7798452 | 0.91 | GAA (0.43) | HDAC1HDAC2NPC1GAAMAPT | |
| SCHEMBL7792603 | 0.90 | MAPT (0.44) | HDAC1HDAC2NPC1GAAMAPT | |
| SCHEMBL7798805 | 0.86 | CYP1A2 (0.46) | HDAC1HDAC2GAAMAPTSMN1; SMN2 | |
| SCHEMBL7798405 | 0.81 | SMN1; SMN2 (0.46) | RXRARXRBRXRGMAPTSMN1; SMN2 | |
| SCHEMBL7798409 | 0.80 | AKR1C3 (0.44) | RXRARXRBRXRGSMN1; SMN2ERN1 | |
| SCHEMBL8035858 | 0.74 | MAOB (0.46) | RXRARXRBRXRGNPC1RAB9A | |
| SCHEMBL8035116 | 0.72 | PTGES (0.48) | HDAC1RXRARXRBRXRGMAPT | |
| Phenethylamine SCHEMBL7799179 | 0.72 | RXRA (0.52) | RXRARXRBRXRGNPC1RAB9A | |
| 4-Methylbenzoic Acid SCHEMBL7798453 | 0.72 | KDM4E (0.46) | NPC1GAAMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL7792606 | 0.71 | KDM4E (0.45) | RXRARXRBRXRGNPC1MAPT |
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 |