Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | BACE1 | P56817 | 3/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.37 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL14939593 | 0.81 | CYP2D6 (0.45) | CYP2D6RECQLALDH1A1L3MBTL1BACE1 | |
| SCHEMBL14940158 | 0.76 | NPSR1 (0.53) | CYP2D6RECQLALDH1A1L3MBTL1BACE1 | |
| SCHEMBL14939588 | 0.75 | ALDH1A1 (0.50) | KCNQ2CYP2D6RECQLALDH1A1L3MBTL1 | |
| SCHEMBL14939045 | 0.75 | CYP2D6 (0.42) | KCNQ2CYP2D6RECQLALDH1A1L3MBTL1 | |
| SCHEMBL14939751 | 0.75 | CYP2D6 (0.42) | CYP2D6PDK2RECQLALDH1A1L3MBTL1 | |
| SCHEMBL14939640 | 0.75 | KMT2A (0.41) | CYP2D6RECQLALDH1A1L3MBTL1BACE1 | |
| SCHEMBL14940340 | 0.74 | HRH4 (0.39) | RECQLALDH1A1TSHRCASP1MAPT | |
| SCHEMBL14939160 | 0.73 | CYP2D6 (0.48) | CYP2D6RECQLALDH1A1L3MBTL1BACE1 | |
| SCHEMBL14941913 | 0.73 | CYP2D6 (0.38) | CYP2D6RECQLALDH1A1L3MBTL1BACE1 | |
| SCHEMBL14939402 | 0.72 | CYP2D6 (0.49) | CYP2D6RECQLALDH1A1L3MBTL1BACE1 |
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-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |