Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.41 |
| ▸ | KLRK1 | P26718 | 1/20 | 0.41 |
| ▸ | MICA | Q29983 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.41 |
| ▸ | RBP4 | P02753 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL8041484 | 0.81 | CACNA2D1 (0.51) | SMYD3CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL8032644 | 0.81 | PDK2 (0.45) | CACNA1BEPHX2RBP4CHRM2CHRM3 | |
| SCHEMBL8043901 | 0.77 | HSD11B1 (0.49) | TACR1CNR1EPHX2RBP4 | |
| SCHEMBL8044223 | 0.76 | EPHX2 (0.43) | CACNA1BEPHX2RBP4 | |
| SCHEMBL8041122 | 0.76 | MGLL (0.49) | CNR1EPHX2 | |
| SCHEMBL8048367 | 0.75 | EPHX2 (0.50) | CACNA1BEPHX2RBP4OPRM1OPRK1 | |
| SCHEMBL3039594 | 0.74 | CACNA1B (0.58) | TRPV1CNR1CACNA1B | |
| SCHEMBL3039080 | 0.74 | CACNA1B (0.58) | TRPV1CNR1CACNA1B | |
| SCHEMBL19745448 | 0.73 | HDAC1 (0.49) | TRPV1CNR1CACNA2D1CACNA1BCACNB1 | |
| SCHEMBL15103504 | 0.73 | CACNA1B (0.58) | SMYD3CNR1CACNA1BOPRM1OPRD1 |
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-2009045382-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |