Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15681732 | 0.92 | KMT2A (0.42) | KMT2ACYP3A4CYP2C19CYP2C9CA1 | |
| SCHEMBL15681731 | 0.87 | RORC (0.44) | KMT2ACYP3A4CYP2C19CYP2C9RORC | |
| SCHEMBL15647079 | 0.87 | KMT2A (0.43) | KMT2ACYP3A4CYP2C19CYP2C9CA1 | |
| Hydrochloric Acid SCHEMBL4541555 | 0.86 | KMT2A (0.42) | KMT2ACYP3A4CYP2C19CYP2C9CA1 | |
| SCHEMBL15645087 | 0.81 | KMT2A (0.44) | KMT2ACYP3A4CYP2C19CYP2C9SLC6A4 | |
| SCHEMBL12693125 | 0.80 | GAA (0.47) | KMT2ACYP3A4CYP2C19CYP2C9LMNA | |
| SCHEMBL12693115 | 0.80 | NAMPT (0.50) | KMT2ACYP3A4CYP2C19CYP2C9LMNA | |
| SCHEMBL15647201 | 0.78 | CA1 (0.41) | KMT2ACYP3A4CYP2C19CYP2C9CA1 | |
| SCHEMBL1498553 | 0.78 | CA1 (0.49) | KMT2ACYP3A4CYP2C19CYP2C9CA1 | |
| SCHEMBL5019767 | 0.78 | CA1 (0.42) | KMT2ACYP3A4CYP2C19CYP2C9CA1 |
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-2012061926-A1 | BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | ZALICUS PHARMACEUTICALS LTD. (CA) | 2012-05-18 | — | — | WO | disclosed |