Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.31 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.31 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.31 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.31 |
| ▸ | ITGAL | P20701 | 1/20 | 0.31 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.31 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL449446 | 0.75 | MAOA (0.34) | MAOAMAOBCYP19A1NISCHABCG2 | |
| SCHEMBL7347250 | 0.75 | KDM1A (0.35) | MAOAMAOBNISCHKDM1AKDM1B | |
| SCHEMBL17185573 | 0.75 | MAOA (0.34) | MAOAMAOBCYP19A1NISCHABCG2 | |
| SCHEMBL2481773 | 0.71 | MAOA (0.35) | MAOAMAOBLTB4RLTB4R2 | |
| SCHEMBL8204487 | 0.71 | MAOA (0.35) | MAOAMAOBCYP19A1NISCHMEN1 | |
| SCHEMBL7534538 | 0.71 | MAOA (0.31) | MAOAMAOBMEN1LMNAMAPT | |
| SCHEMBL7022979 | 0.71 | CYP19A1 (0.32) | MAOAMAOBCYP19A1 | |
| SCHEMBL1519101 | 0.69 | ALDH1A1 (0.39) | MAOAMAOBLTB4RLTB4R2MEN1 | |
| SCHEMBL3832884 | 0.68 | P2RX4 (0.36) | MAOAMAOBMEN1MAPTKMT2A | |
| SCHEMBL23071203 | 0.67 | MAOA (0.32) | MAOAMAOBNISCH |
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-113121517-A | Triazole derivative and preparation method and application thereof | 中山大学 | 2021-07-16 | — | — | CN | disclosed |