Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.60 |
| ▸ | P2RY12 | Q9H244 | 9/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3874439 | 1.00 | ALDH1A1 (0.76) | ALDH1A1KDM4EKMT2AP2RY12L3MBTL1 | |
| Hydrochloric Acid SCHEMBL4878714 | 0.99 | ALDH1A1 (0.74) | ALDH1A1KDM4EKMT2AP2RY12L3MBTL1 | |
| SCHEMBL4005299 | 0.96 | ALDH1A1 (0.70) | ALDH1A1KDM4EKMT2AP2RY12L3MBTL1 | |
| SCHEMBL14598715 | 0.91 | ALDH1A1 (0.69) | ALDH1A1KDM4EKMT2AP2RY12L3MBTL1 | |
| SCHEMBL4295294 | 0.87 | ALDH1A1 (0.73) | ALDH1A1KDM4EKMT2AP2RY12L3MBTL1 | |
| SCHEMBL3926740 | 0.86 | ALDH1A1 (1.00) | ALDH1A1KDM4EP2RY12 | |
| SCHEMBL30999844 | 0.86 | ALDH1A1 (1.00) | ALDH1A1KDM4EP2RY12 | |
| SCHEMBL4105831 | 0.85 | P2RY12 (0.69) | ALDH1A1KDM4EKMT2AP2RY12L3MBTL1 | |
| SCHEMBL5317646 | 0.85 | ALDH1A1 (0.57) | ALDH1A1KDM4EKMT2AP2RY12L3MBTL1 | |
| SCHEMBL4425610 | 0.84 | ALDH1A1 (0.75) | ALDH1A1KDM4EKMT2AP2RY12L3MBTL1 |
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-118344351-A | Preparation method and application of PET imaging agent targeting neuroinflammatory purinergic P2Y12 receptor | 复旦大学 | 2024-07-16 | — | — | CN | disclosed |