Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.66 |
| ▸ | MAOB | P27338 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7792654 | 0.91 | TAAR1 (0.58) | TAAR1MAOBALDH1A1CYP2A6LTA4H | |
| Benzaldehyde SCHEMBL7792134 | 0.87 | ALDH1A1 (0.58) | TAAR1MAOBALDH1A1CYP2A6LTA4H | |
| SCHEMBL7792570 | 0.87 | NPC1 (0.59) | TAAR1MAOBALDH1A1LTA4HRAB9A | |
| Phenethylamine SCHEMBL22129843 | 0.85 | TAAR1 (0.84) | TAAR1MAOBCYP2A6LTA4H | |
| Benzaldehyde SCHEMBL14677731 | 0.84 | TAAR1 (0.71) | TAAR1MAOBALDH1A1RAB9ANPC1 | |
| SCHEMBL7798023 | 0.81 | TAAR1 (0.57) | TAAR1MAOBALDH1A1CYP2A6RAB9A | |
| SCHEMBL5604883 | 0.81 | ALDH1A1 (0.76) | TAAR1MAOBALDH1A1CYP2A6LTA4H | |
| Anisaldehyde SCHEMBL20357563 | 0.81 | ALDH1A1 (0.83) | MAOBALDH1A1CYP2A6LTA4HRAB9A | |
| SCHEMBL4634 | 0.81 | TAAR1 (1.00) | TAAR1MAOBCYP2A6ATM | |
| Benzaldehyde SCHEMBL8025521 | 0.81 | KDM4E (0.69) | TAAR1ALDH1A1MEN1KMT2AATM |
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 |