Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3497345 | 0.85 | DRD2 (0.62) | HDAC1HDAC8HDAC6HPGDALDH1A1 | |
| SCHEMBL1808538 | 0.85 | HDAC1 (0.57) | HDAC1HDAC8HDAC6HPGDALDH1A1 | |
| SCHEMBL31472990 | 0.85 | HDAC6 (0.68) | HDAC1HDAC8HDAC6HPGDALDH1A1 | |
| SCHEMBL28918736 | 0.85 | HDAC6 (0.68) | HDAC1HDAC8HDAC6HPGDALDH1A1 | |
| SCHEMBL28605584 | 0.84 | MAPT (0.62) | HPGDALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL31248091 | 0.84 | MAPT (0.62) | HPGDALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL28610296 | 0.84 | PTGER4 (0.67) | HPGDALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL31247978 | 0.83 | TP53 (0.63) | ALDH1A1MAPTKDM4EL3MBTL1MEN1 | |
| SCHEMBL31472947 | 0.82 | HDAC1 (0.54) | HDAC1HDAC8HDAC6HPGDALDH1A1 | |
| SCHEMBL226785 | 0.80 | MEN1 (0.67) | HDAC1HDAC8HDAC6HPGDALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113166073-A | Benzoheterocyclic compounds and compositions for preventing or treating cancer diseases containing the same as active ingredient | 启明大学校产学协力团 | 2021-07-23 | — | — | CN | disclosed |