Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA3 | P07451 | 3/20 | 0.47 |
| ▸ | CA4 | P22748 | 3/20 | 0.47 |
| ▸ | CA6 | P23280 | 3/20 | 0.47 |
| ▸ | CA5A | P35218 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | PLCG1 | P19174 | 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 | |
|---|---|---|---|---|
| SCHEMBL3254088 | 0.86 | ALDH1A1 (0.59) | ALDH1A1NPC1CYP3A4MAPK1CA12 | |
| SCHEMBL208421 | 0.80 | ALDH1A1 (0.59) | ALDH1A1NPC1CYP3A4CA12CA1 | |
| SCHEMBL198600 | 0.79 | PSIP1 (0.58) | ALDH1A1NPC1CYP3A4MAPK1CA12 | |
| SCHEMBL6544145 | 0.77 | PSIP1 (0.62) | ALDH1A1CA12CA1CA2CA3 | |
| SCHEMBL2914219 | 0.75 | ALDH1A1 (0.56) | ALDH1A1NPC1CYP3A4MAPK1CA12 | |
| SCHEMBL8789025 | 0.75 | ALDH1A1 (0.56) | ALDH1A1NPC1CYP3A4MAPK1CA12 | |
| SCHEMBL5133527 | 0.74 | PSIP1 (0.52) | ALDH1A1NPC1CYP3A4MAPK1CA12 | |
| SCHEMBL5049079 | 0.74 | PSIP1 (0.52) | ALDH1A1NPC1CYP3A4MAPK1CA12 | |
| SCHEMBL1368829 | 0.74 | KMT2A (0.51) | ALDH1A1NPC1CYP3A4MAPK1CA12 | |
| SCHEMBL265232 | 0.74 | PTGS2 (0.69) | ALDH1A1CYP3A4MAPK1CA12CA1 |
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-116396207-A | Method for synthesizing nitrogen-containing heterocyclic aromatic compounds | 陕西师范大学 | 2023-07-07 | — | — | CN | disclosed |