Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14940158 | 0.81 | NPSR1 (0.53) | CA1CA2CA7CA9CA4 | |
| SCHEMBL14939451 | 0.80 | MAPT (0.42) | CA1CA2CA7CA9CYP2D6 | |
| SCHEMBL14940053 | 0.80 | S100A4 (0.43) | CA1CA2CA7CA9CA4 | |
| SCHEMBL14939057 | 0.80 | ALDH1A1 (0.52) | CA1CA2CA7CA9CYP2D6 | |
| SCHEMBL14939461 | 0.79 | CA1 (0.46) | CA1CA2CA7CA9CA4 | |
| SCHEMBL14940028 | 0.77 | CA1 (0.42) | CA1CA2CA7CA9CA4 | |
| SCHEMBL14939165 | 0.76 | MAPT (0.49) | MAOBMAPTHCAR3HCAR2OPRM1 | |
| SCHEMBL14939005 | 0.76 | KMT2A (0.49) | CA1CA2CA7CA9CA4 | |
| SCHEMBL14939787 | 0.76 | CYP2D6 (0.38) | CA1CA2CA7CA9CYP2D6 | |
| SCHEMBL14939711 | 0.74 | CYP2D6 (0.42) | CA1CA2CA7CA9CYP2D6 |
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 |