Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | ACACA | Q13085 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
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 | 0.88 | CYP2D6 (0.30) | CYP2D6OPRD1KCNH2OPRM1OPRK1 | |
| SCHEMBL4517085 | 0.86 | ACACB (0.37) | ACACBACACACYP2D6OPRD1KCNH2 | |
| SCHEMBL3854940 | 0.82 | CYP2D6 (0.30) | CYP2D6OPRD1KCNH2OPRM1OPRK1 | |
| SCHEMBL4784594 | 0.76 | ACACB (0.45) | ACACBACACA | |
| SCHEMBL1165288 | 0.74 | ACACB (0.40) | ACACBACACA | |
| SCHEMBL2363125 | 0.74 | ACACB (0.40) | ACACBACACA | |
| SCHEMBL3858972 | 0.74 | ACACB (0.57) | ACACBACACA | |
| SCHEMBL308338 | 0.73 | ACACB (0.60) | ACACBACACA | |
| SCHEMBL3861926 | 0.73 | ACACB (0.43) | ACACBACACA | |
| SCHEMBL3855744 | 0.71 | ACACB (0.39) | ACACBACACAOPRD1KCNH2 |
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 |