Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 4/20 | 0.45 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8032078 | 0.79 | PPARG (0.62) | HCAR3HDAC1FGFR1PPARGPLA2G4A | |
| SCHEMBL29424692 | 0.78 | HCAR3 (0.49) | HCAR3HDAC1HDAC8HPGDALDH1A1 | |
| SCHEMBL28720229 | 0.78 | HCAR3 (0.49) | HCAR3HDAC1HDAC8HPGDALDH1A1 | |
| SCHEMBL16713345 | 0.78 | PKM (0.54) | HCAR3HDAC1HDAC8HPGDALDH1A1 | |
| SCHEMBL3436680 | 0.77 | HCAR3 (0.58) | HCAR3HDAC1HPGDALDH1A1LMNA | |
| SCHEMBL30138443 | 0.77 | HCAR3 (0.58) | HCAR3HDAC1HPGDALDH1A1LMNA | |
| SCHEMBL2996553 | 0.76 | HCAR3 (0.60) | HCAR3HDAC1HDAC8HPGDALDH1A1 | |
| SCHEMBL22533960 | 0.76 | MEN1 (0.49) | HCAR3HDAC1HDAC8HPGDALDH1A1 | |
| SCHEMBL8038655 | 0.76 | PPARG (0.64) | HCAR3HDAC1FGFR1PPARG | |
| SCHEMBL31183038 | 0.75 | HCAR3 (0.55) | HCAR3HDAC1HPGDALDH1A1LMNA |
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-112805066-A | Substituted benzimidazoles as PAD4 inhibitors | 百时美施贵宝公司 | 2021-05-14 | — | — | CN | disclosed |