Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HHAT | Q5VTY9 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 9/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 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 | |
|---|---|---|---|---|
| SCHEMBL6073004 | 0.85 | CHRM3 (0.52) | HHATCYP2D6HDAC8TRPM8 | |
| SCHEMBL6072947 | 0.84 | HHAT (0.47) | HHATCYP2D6HDAC8TRPM8 | |
| SCHEMBL6072963 | 0.82 | CHRM3 (0.53) | HHATCYP2D6HDAC8HDAC3HDAC1 | |
| SCHEMBL22784521 | 0.81 | CHRM3 (0.60) | TRPM8 | |
| Acetic Acid SCHEMBL22776782 | 0.79 | CHRM3 (0.56) | HHATCYP2D6TRPM8 | |
| Acetic Acid SCHEMBL29560775 | 0.79 | CHRM3 (0.56) | HHATCYP2D6TRPM8 | |
| SCHEMBL17117236 | 0.78 | HHAT (0.54) | HHATCYP2D6HDAC8TRPM8HDAC3 | |
| SCHEMBL22776219 | 0.77 | TRPM8 (0.55) | TRPM8 | |
| SCHEMBL22776218 | 0.77 | TRPM8 (0.55) | TRPM8 | |
| SCHEMBL22784205 | 0.77 | TRPM8 (0.55) | TRPM8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006035280-A1 | 3,4-DIHYDROISOQUINOLINE COMPOUNDS AS MUSCRINIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF RESPIRATORY, URINARY AND GASTROINTESTINAL DISEASES | RANBAXY LABORATORIES LIMITED (IN) | 2006-04-06 | — | — | WO | claimed |
| WO-2006035280-A1 | 3,4-DIHYDROISOQUINOLINE COMPOUNDS AS MUSCRINIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF RESPIRATORY, URINARY AND GASTROINTESTINAL DISEASES | RANBAXY LABORATORIES LIMITED (IN) | 2006-04-06 | — | — | WO | disclosed |