Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6252581 | 0.80 | CYP2A6 (0.58) | CYP2A6KEAP1LOXL2HRH4MAPT | |
| SCHEMBL28220569 | 0.80 | CYP2A6 (0.53) | CYP2A6KEAP1LOXL2HRH4MAPT | |
| SCHEMBL377753 | 0.79 | CYP19A1 (0.44) | CYP2A6LOXL2HRH4 | |
| SCHEMBL6252222 | 0.77 | CYP2A6 (0.55) | CYP2A6KEAP1LOXL2HRH4MAPT | |
| SCHEMBL1429226 | 0.77 | LOXL2 (0.67) | LOXL2MAPTKDM4EMEN1KMT2A | |
| SCHEMBL3578511 | 0.77 | CYP2A6 (0.53) | CYP2A6KEAP1LOXL2HRH4MAPT | |
| SCHEMBL29750394 | 0.77 | LOXL2 (0.58) | LOXL2HRH4KDM4EHSD17B10 | |
| SCHEMBL4728647 | 0.77 | LOXL2 (0.58) | LOXL2HRH4KDM4EHSD17B10 | |
| SCHEMBL28083588 | 0.76 | CYP2A6 (0.53) | CYP2A6KEAP1LOXL2HRH4MAPT | |
| SCHEMBL616859 | 0.76 | CYP2A6 (0.44) | CYP2A6LOXL2SIRT1KDR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3604306-A1 | MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai de Novo Pharmatech Co., Ltd. (CN) | 2020-02-05 | — | — | EP | disclosed |