Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.48 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.48 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15641647 | 0.83 | NPC1 (0.52) | CACNA2D1CACNB1OPRD1SLC6A9ACHE | |
| SCHEMBL2007270 | 0.81 | OPRM1 (0.47) | CACNA2D1CACNB1CACNA1AOPRD1SLC6A9 | |
| SCHEMBL21641193 | 0.81 | CACNA2D1 (0.50) | CACNA2D1CACNB1CACNA1AOPRD1SLC6A9 | |
| SCHEMBL2547348 | 0.80 | KMT2A (0.44) | CACNA2D1CACNB1CACNA1AOPRD1SLC6A9 | |
| SCHEMBL3292513 | 0.78 | CACNA1A (0.58) | CACNA2D1CACNB1CACNA1AOPRD1SLC6A9 | |
| SCHEMBL1768996 | 0.78 | ALDH1A1 (0.44) | OPRD1SLC6A9ACHEALDH1A1MAPT | |
| SCHEMBL1768925 | 0.77 | KMT2A (0.40) | OPRD1SLC6A9ACHEMAPTKMT2A | |
| SCHEMBL1768927 | 0.77 | KMT2A (0.40) | OPRD1SLC6A9ACHEMAPTKMT2A | |
| SCHEMBL1661498 | 0.77 | CACNA2D1 (0.51) | CACNA2D1CACNB1CACNA1AOPRD1SLC6A9 | |
| SCHEMBL5802065 | 0.76 | OPRM1 (0.49) | OPRD1SLC6A9GAAALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011136385-A1 | BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-11-03 | — | — | WO | disclosed |