Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | RBP4 | P02753 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.42 |
| ▸ | NPY2R | P49146 | 3/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | UBE2M | P61081 | 1/20 | 0.41 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8044223 | 0.93 | EPHX2 (0.43) | PDK2EPHX2RBP4ALDH1A1CYP3A4 | |
| SCHEMBL3036324 | 0.83 | CACNA1B (0.61) | CYP3A4CACNA1BNR1I2LMNA | |
| SCHEMBL3025708 | 0.83 | CACNA1B (0.61) | CYP3A4CACNA1BNR1I2LMNA | |
| SCHEMBL3132332 | 0.83 | CACNA1B (0.61) | CYP3A4CACNA1BNR1I2LMNA | |
| SCHEMBL8041122 | 0.81 | MGLL (0.49) | PDK2EPHX2UBE2MDCUN1D1 | |
| SCHEMBL8050179 | 0.81 | TACR1 (0.44) | EPHX2RBP4CHRM3CHRM2CACNA1B | |
| SCHEMBL8043901 | 0.80 | HSD11B1 (0.49) | EPHX2RBP4ALDH1A1LMNA | |
| SCHEMBL8048367 | 0.78 | EPHX2 (0.50) | EPHX2RBP4CYP3A4CACNA1BNR1I2 | |
| SCHEMBL8041484 | 0.77 | CACNA2D1 (0.51) | EPHX2CACNA1BUBE2MDCUN1D1 | |
| SCHEMBL3035742 | 0.77 | CACNA1B (0.59) | ALDH1A1CYP3A4CACNA1BNR1I2 |
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 |