Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | LTA4H | P09960 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 5/20 | 0.51 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7792264 | 0.91 | ALDH1A1 (0.56) | ALDH1A1CYP2A6RAB9ANPC1TDP1 | |
| Benzaldehyde SCHEMBL7798573 | 0.87 | TAAR1 (0.66) | ALDH1A1CYP2A6RAB9ANPC1TDP1 | |
| SCHEMBL7798169 | 0.87 | NPC1 (0.63) | ALDH1A1CYP2A6RAB9ANPC1TDP1 | |
| Benzaldehyde SCHEMBL29229209 | 0.86 | ALDH1A1 (0.64) | ALDH1A1CYP2A6RAB9AMAOBTAAR1 | |
| Anisaldehyde SCHEMBL20357563 | 0.84 | ALDH1A1 (0.83) | ALDH1A1CYP2A6RAB9ANPC1TDP1 | |
| Benzylamine SCHEMBL7484124 | 0.84 | LTA4H (0.69) | ALDH1A1LTA4HMAOBTAAR1HTT | |
| Anisole SCHEMBL4643770 | 0.82 | ALDH1A1 (0.71) | ALDH1A1CYP2A6RAB9ANPC1TDP1 | |
| Benzylamine SCHEMBL28634214 | 0.82 | ALDH1A1 (0.64) | ALDH1A1CYP2A6MAOBTRPA1TAAR1 | |
| SCHEMBL7792799 | 0.81 | MAOB (0.52) | ALDH1A1CYP2A6RAB9ANPC1TDP1 | |
| SCHEMBL7798238 | 0.80 | ALDH1A1 (0.57) | ALDH1A1CYP2A6RAB9ANPC1TDP1 |
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 |