Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9042261 | 1.00 | HDAC3 (0.39) | HDAC3HDAC4HDAC1HDAC6ERN1 | |
| SCHEMBL9042699 | 0.87 | HDAC3 (0.42) | HDAC3HDAC4HDAC1HDAC6ERN1 | |
| SCHEMBL9041997 | 0.81 | HDAC3 (0.43) | HDAC3HDAC4HDAC1HDAC6ERN1 | |
| SCHEMBL9042117 | 0.75 | HDAC3 (0.36) | HDAC3HDAC4HDAC1HDAC6FNTA | |
| SCHEMBL6733518 | 0.74 | HDAC3 (0.47) | HDAC3HDAC4HDAC1HDAC6ERN1 | |
| SCHEMBL9042923 | 0.71 | HDAC3 (0.33) | HDAC3HDAC4HDAC1HDAC6HPGD | |
| SCHEMBL9039846 | 0.68 | NAMPT (0.34) | HDAC3HDAC4HDAC1HDAC6 | |
| SCHEMBL23144301 | 0.68 | NPSR1 (0.42) | HPGDL3MBTL1TSHRMAPK1ATM | |
| SCHEMBL6361757 | 0.67 | HDAC3 (0.55) | HDAC3HDAC4HDAC1HDAC6ERN1 | |
| SCHEMBL8982490 | 0.66 | HPGD (0.40) | HPGDL3MBTL1TSHRMAPK1ATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0400562-B1 | Pyrrolopyrimidines, their production and use as tumoricidal agents | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-08-21 | — | — | EP | disclosed |