Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3857178 | 0.90 | CYP2D6 (0.30) | CYP2D6OPRM1OPRD1OPRK1KCNH2 | |
| SCHEMBL3854564 | 0.82 | ACACB (0.37) | CYP2D6OPRM1OPRD1OPRK1KCNH2 | |
| SCHEMBL308346 | 0.72 | HDAC3 (0.43) | — | |
| SCHEMBL4517085 | 0.68 | ACACB (0.37) | CYP2D6OPRM1OPRD1OPRK1KCNH2 | |
| SCHEMBL308345 | 0.65 | HDAC3 (0.47) | — | |
| SCHEMBL309464 | 0.64 | TSHR (0.47) | — | |
| SCHEMBL3856567 | 0.63 | — | — | |
| SCHEMBL309677 | 0.62 | ACACB (0.47) | — | |
| SCHEMBL4787034 | 0.62 | ACACB (0.39) | — | |
| SCHEMBL14862297 | 0.61 | PBRM1 (0.42) | CYP2D6OPRD1OPRK1KCNH2 |
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-2111406-A1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | Merck & Co., Inc. (US) | 2009-10-28 | — | — | EP | claimed |
| WO-2008088688-A1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | claimed |