Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | RECQL | P46063 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14940453 | 0.79 | CYP2D6 (0.62) | CYP2D6ALDH1A1RECQLL3MBTL1CA1 | |
| SCHEMBL14939588 | 0.72 | ALDH1A1 (0.50) | CYP2D6ALDH1A1RECQLL3MBTL1CA1 | |
| SCHEMBL14938951 | 0.71 | ALDH1A1 (0.45) | CYP2D6ALDH1A1RECQLL3MBTL1CA1 | |
| SCHEMBL14939487 | 0.71 | ALDH1A1 (0.45) | CYP2D6ALDH1A1RECQLL3MBTL1CA1 | |
| SCHEMBL14939984 | 0.71 | CYP2D6 (0.45) | CYP2D6ALDH1A1RECQLL3MBTL1CA1 | |
| SCHEMBL14939595 | 0.70 | KMT2A (0.44) | CYP2D6ALDH1A1RECQLL3MBTL1CA1 | |
| SCHEMBL9434988 | 0.69 | CYP2D6 (0.48) | CYP2D6ALDH1A1RECQLCA1CA2 | |
| SCHEMBL14939676 | 0.69 | CYP2D6 (0.42) | CYP2D6ALDH1A1RECQLL3MBTL1CA1 | |
| SCHEMBL14939387 | 0.68 | ALDH1A1 (0.45) | CYP2D6ALDH1A1RECQLL3MBTL1CA1 | |
| SCHEMBL14939316 | 0.68 | NPC1 (0.46) | CYP2D6ALDH1A1RECQLL3MBTL1CA1 |
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 |