Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 3/20 | 0.50 |
| ▸ | HHAT | Q5VTY9 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 5/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.46 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.46 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6072947 | 0.87 | HHAT (0.47) | CHRM3HHATCYP2D6GRIN1GRIN2B | |
| SCHEMBL6072987 | 0.81 | CHRM3 (0.52) | CHRM3HHATCYP2D6GRIN1GRIN2B | |
| SCHEMBL6073004 | 0.81 | CHRM3 (0.52) | CHRM3HHATCYP2D6TRPM8HDAC8 | |
| SCHEMBL6073099 | 0.80 | MCHR1 (0.43) | CHRM3HHATCYP2D6SIGMAR1 | |
| SCHEMBL17117236 | 0.77 | HHAT (0.54) | HHATCYP2D6TRPM8HDAC8 | |
| SCHEMBL6072890 | 0.76 | CHRM3 (0.61) | CHRM3HHATCYP2D6GRIN1GRIN2B | |
| SCHEMBL17117340 | 0.75 | EPHX2 (0.58) | HHATCYP2D6TRPM8HDAC8 | |
| SCHEMBL23436290 | 0.74 | CHRM3 (0.84) | CHRM3CACNA1FCHRM2CHRM4CHRM5 | |
| SCHEMBL23436318 | 0.74 | CHRM3 (0.84) | CHRM3CACNA1FCHRM2CHRM4CHRM5 | |
| SCHEMBL12153444 | 0.74 | HHAT (0.57) | CHRM3HHATCYP2D6TRPM8HDAC8 |
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 |