Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939057 | 0.76 | ALDH1A1 (0.52) | CYP2D6ALDH1A1CA1CA2TSHR | |
| SCHEMBL14939461 | 0.75 | CA1 (0.46) | CYP2D6ALDH1A1CA1CA2TSHR | |
| SCHEMBL14939632 | 0.74 | CA1 (0.43) | CYP2D6ALDH1A1CA1CA2TSHR | |
| SCHEMBL14940158 | 0.74 | NPSR1 (0.53) | CYP2D6ALDH1A1CA1CA2TSHR | |
| SCHEMBL14939402 | 0.73 | CYP2D6 (0.49) | CYP2D6ALDH1A1CA1CA2TSHR | |
| SCHEMBL14940123 | 0.73 | ALDH1A1 (0.47) | CYP2D6ALDH1A1CA1CA2TSHR | |
| SCHEMBL14939593 | 0.73 | CYP2D6 (0.45) | CYP2D6ALDH1A1CA1CA2TSHR | |
| SCHEMBL14939451 | 0.73 | MAPT (0.42) | CYP2D6ALDH1A1CA1CA2TSHR | |
| SCHEMBL14939005 | 0.73 | KMT2A (0.49) | CYP2D6ALDH1A1CA1CA2MAPK1 | |
| SCHEMBL14939588 | 0.69 | ALDH1A1 (0.50) | CYP2D6ALDH1A1CA1CA2TSHR |
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 |