Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA7 | P43166 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939789 | 0.76 | CYP2D6 (0.44) | KMT2ACYP2D6ALDH1A1L3MBTL1PDK2 | |
| SCHEMBL14939984 | 0.73 | CYP2D6 (0.45) | KMT2ACYP2D6ALDH1A1L3MBTL1PDK2 | |
| SCHEMBL14939045 | 0.71 | CYP2D6 (0.42) | KMT2ACYP2D6ALDH1A1L3MBTL1RECQL | |
| SCHEMBL14940453 | 0.71 | CYP2D6 (0.62) | KMT2ACYP2D6ALDH1A1L3MBTL1PDK2 | |
| SCHEMBL14939334 | 0.70 | CYP2D6 (0.49) | KMT2ACYP2D6ALDH1A1L3MBTL1RECQL | |
| SCHEMBL14940158 | 0.68 | NPSR1 (0.53) | KMT2ACYP2D6ALDH1A1L3MBTL1RECQL | |
| SCHEMBL14938861 | 0.68 | CYP2D6 (0.42) | KMT2ACYP2D6ALDH1A1L3MBTL1RECQL | |
| SCHEMBL14939751 | 0.68 | CYP2D6 (0.42) | KMT2ACYP2D6ALDH1A1L3MBTL1PDK2 | |
| SCHEMBL14939402 | 0.67 | CYP2D6 (0.49) | KMT2ACYP2D6ALDH1A1L3MBTL1RECQL | |
| SCHEMBL14939593 | 0.67 | CYP2D6 (0.45) | KMT2ACYP2D6ALDH1A1L3MBTL1RECQL |
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 |