Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28632400 | 1.00 | CYP2D6 (0.42) | CYP2D6ALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL28634513 | 1.00 | CYP2D6 (0.42) | CYP2D6ALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL396124 | 0.88 | CYP2D6 (0.40) | CYP2D6ALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL396125 | 0.88 | CYP2D6 (0.40) | CYP2D6ALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL397490 | 0.88 | CYP2D6 (0.40) | CYP2D6ALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL1184772 | 0.86 | MAPT (0.41) | CYP2D6ALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL2180265 | 0.86 | MAPT (0.41) | CYP2D6ALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL25228006 | 0.84 | HDAC3 (0.42) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL6000874 | 0.84 | CA1 (0.44) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL9112224 | 0.83 | CYP2D6 (0.39) | CYP2D6HDAC3HDAC1HDAC2HDAC8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113474348-A | Substituted oxopyridine derivatives | 拜耳公司 | 2021-10-01 | — | — | CN | disclosed |
| CN-1283656-C | C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases | IDUN PHARMACEUTICALS INC (US) | 2006-11-08 | — | — | CN | disclosed |
| CN-1159289-C | C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cystenine proteases | ������˹ҩƷ��˾ | 2004-07-28 | — | — | CN | disclosed |