Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 16/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 14/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2586790 | 0.83 | DDB1 (0.41) | OPRD1KCNH2CYP2D6OPRK1OPRM1 | |
| SCHEMBL2590441 | 0.82 | OPRD1 (0.39) | OPRD1KCNH2CYP2D6OPRK1OPRM1 | |
| SCHEMBL13339986 | 0.76 | OPRD1 (0.43) | OPRD1KCNH2CYP2D6OPRK1OPRM1 | |
| Hydrochloric Acid SCHEMBL3494214 | 0.75 | OPRD1 (0.43) | OPRD1KCNH2CYP2D6OPRK1OPRM1 | |
| SCHEMBL14919156 | 0.74 | OPRD1 (0.39) | OPRD1KCNH2CYP2D6OPRK1OPRM1 | |
| SCHEMBL22389768 | 0.72 | HDAC3 (0.50) | OPRD1KCNH2CYP2D6OPRK1OPRM1 | |
| Hydrochloric Acid SCHEMBL3228756 | 0.71 | HDAC3 (0.49) | OPRD1KCNH2CYP2D6OPRK1OPRM1 | |
| SCHEMBL14918914 | 0.69 | OPRD1 (0.40) | OPRD1KCNH2CYP2D6OPRK1OPRM1 | |
| SCHEMBL2592703 | 0.67 | OPRD1 (0.36) | OPRD1KCNH2CYP2D6OPRK1OPRM1 | |
| SCHEMBL2589311 | 0.67 | OPRD1 (0.44) | OPRD1KCNH2CYP2D6OPRK1OPRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2595989-A1 | HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2013067248-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-10 | — | — | WO | disclosed |
| WO-2011140425-A1 | HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-10 | — | — | WO | disclosed |