Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | GPER1 | Q99527 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 4/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6650988 | 0.94 | KCNQ2 (0.62) | KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1 | |
| SCHEMBL30796249 | 0.94 | KCNQ2 (0.62) | KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1 | |
| SCHEMBL6681217 | 0.94 | KCNQ2 (0.62) | KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1 | |
| SCHEMBL6650990 | 0.94 | KCNQ2 (0.62) | KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1 | |
| SCHEMBL6858122 | 0.94 | KCNQ2 (0.62) | KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1 | |
| SCHEMBL6683606 | 0.93 | KCNQ2 (0.64) | KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1 | |
| SCHEMBL6858114 | 0.93 | KCNQ2 (0.64) | KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1 | |
| SCHEMBL6683610 | 0.93 | KCNQ2 (0.64) | KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1 | |
| SCHEMBL6683615 | 0.93 | KCNQ2 (0.64) | KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1 | |
| SCHEMBL6858587 | 0.90 | CYP3A4 (0.75) | KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6831080-B2 | E.g., 3-(2-fluorophenyl)-N-(1-(3-morpholin-4-yl)phenyl)-propyl)acrylamide; disorders responsive to opening of KCNQ potassium channels; analgesics; migraine, bipolar disorders, anticonvulsants, antiepileptic, anxiolytic agents | BRISTOL-MYERS SQUIBB COMPANY | 2004-12-14 | — | — | US | disclosed |