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 | |
|---|---|---|---|---|
| SCHEMBL3854940 | 0.90 | CYP2D6 (0.30) | CYP2D6OPRM1OPRD1OPRK1KCNH2 | |
| SCHEMBL3854564 | 0.88 | ACACB (0.37) | CYP2D6OPRM1OPRD1OPRK1KCNH2 | |
| SCHEMBL4517085 | 0.74 | ACACB (0.37) | CYP2D6OPRM1OPRD1OPRK1KCNH2 | |
| SCHEMBL309677 | 0.73 | ACACB (0.47) | — | |
| SCHEMBL3856567 | 0.73 | — | — | |
| SCHEMBL4787034 | 0.72 | ACACB (0.39) | — | |
| SCHEMBL4783523 | 0.67 | — | — | |
| SCHEMBL309676 | 0.67 | HDAC3 (0.46) | — | |
| SCHEMBL308422 | 0.67 | TSHR (0.44) | — | |
| SCHEMBL3858163 | 0.66 | ACACB (0.36) | — |
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 | disclosed |
| WO-2008088688-A1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |