Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | ACACA | Q13085 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.31 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.31 |
| ▸ | RARA | P10276 | 1/20 | 0.30 |
| ▸ | RARB | P10826 | 1/20 | 0.30 |
| ▸ | RARG | P13631 | 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 | |
|---|---|---|---|---|
| SCHEMBL4412902 | 0.86 | ACACB (0.41) | ACACBACACABRD4MKNK1MKNK2 | |
| SCHEMBL3864125 | 0.84 | ACACB (0.54) | ACACBACACACYP1A1CYP1B1 | |
| SCHEMBL3793047 | 0.84 | ACACB (0.51) | ACACBACACACYP1A1CYP1B1 | |
| SCHEMBL1444711 | 0.84 | ACACB (0.51) | ACACBACACACYP1A1CYP1B1 | |
| SCHEMBL4266728 | 0.83 | OPRD1 (0.32) | ACACBOPRD1ITGA4ITGB7OPRK1 | |
| SCHEMBL4267712 | 0.83 | OPRD1 (0.32) | ACACBOPRD1ITGA4ITGB7OPRK1 | |
| SCHEMBL4416789 | 0.83 | ACACB (0.38) | ACACBACACAMKNK1MKNK2SSTR5 | |
| SCHEMBL14128719 | 0.83 | ACACB (0.66) | ACACBACACACYP1A1CYP1B1 | |
| SCHEMBL2571790 | 0.83 | ACACB (0.66) | ACACBACACACYP1A1CYP1B1 | |
| SCHEMBL4266808 | 0.83 | OPRD1 (0.32) | ACACBOPRD1ITGA4ITGB7OPRK1 |
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-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | claimed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | claimed |