Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
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 | 0.86 | CYP2D6 (0.45) | CYP2D6BACE1GFERTSHRHSD17B10 | |
| SCHEMBL14939640 | 0.79 | KMT2A (0.41) | CYP2D6BACE1GFERTSHRHSD17B10 | |
| SCHEMBL14941913 | 0.77 | CYP2D6 (0.38) | CYP2D6BACE1GFERTSHRHSD17B10 | |
| SCHEMBL14939223 | 0.73 | CYP2D6 (0.53) | CYP2D6BACE1GFERTSHRALDH1A1 | |
| SCHEMBL14939550 | 0.73 | KCNQ2 (0.44) | CYP2D6BACE1GFERTSHRALDH1A1 | |
| SCHEMBL14939402 | 0.71 | CYP2D6 (0.49) | CYP2D6BACE1GFERTSHRALDH1A1 | |
| SCHEMBL14939751 | 0.71 | CYP2D6 (0.42) | CYP2D6BACE1GFERTSHRALDH1A1 | |
| SCHEMBL14939026 | 0.69 | NPSR1 (0.47) | MAPTMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL14939711 | 0.68 | CYP2D6 (0.42) | CYP2D6BACE1GFERTSHRALDH1A1 | |
| SCHEMBL14940158 | 0.68 | NPSR1 (0.53) | CYP2D6BACE1TSHRALDH1A1L3MBTL1 |
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 |