Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.83 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ESRRA | P11474 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | CD74 | P04233 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2819653 | 0.91 | P2RX7 (1.00) | P2RX7NOTUML3MBTL1MAOAPTGS2 | |
| SCHEMBL21066900 | 0.80 | P2RX7 (0.67) | P2RX7NOTUML3MBTL1MAOAPTGS2 | |
| SCHEMBL16271200 | 0.80 | P2RX7 (0.67) | P2RX7NOTUML3MBTL1MAOANPC1 | |
| SCHEMBL24569989 | 0.77 | P2RX7 (0.68) | P2RX7NOTUMPTGS2PTGS1CA12 | |
| SCHEMBL27768483 | 0.75 | P2RX7 (0.70) | P2RX7NOTUMMAOAMIFALDH1A1 | |
| SCHEMBL14610999 | 0.74 | P2RX7 (0.68) | P2RX7NOTUML3MBTL1PTGS2NPC1 | |
| SCHEMBL25160211 | 0.74 | P2RX7 (0.68) | P2RX7PTGS2NPC1CA12CA1 | |
| SCHEMBL14701726 | 0.74 | P2RX7 (0.68) | P2RX7NOTUMPTGS2PTGS1MIF | |
| SCHEMBL4960613 | 0.73 | P2RX7 (0.62) | P2RX7PTGS2PTGS1MIFCA12 | |
| SCHEMBL4963203 | 0.73 | P2RX7 (0.67) | P2RX7MAOAPTGS2CA12CA1 |
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-109096211-A | A kind of preparation method of polysubstituted triazole derivatives | 华侨大学 | 2018-12-28 | — | — | CN | disclosed |