Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.45 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | KIT | P10721 | 1/20 | 0.42 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4725521 | 0.90 | MAOB (0.48) | CYP3A4MAOBPDGFRBPDGFRADHODH | |
| SCHEMBL856542 | 0.85 | CYP3A4 (0.52) | CYP3A4MAOBALOX5NPC1RAB9A | |
| SCHEMBL28421218 | 0.85 | CYP3A4 (0.49) | CYP3A4MAOBALOX5PDGFRBPDGFRA | |
| SCHEMBL6471210 | 0.81 | EGFR (0.50) | CYP3A4MAOBPDGFRBPDGFRANPC1 | |
| SCHEMBL13729181 | 0.80 | ALDH1A1 (0.46) | CYP3A4NPC1RAB9AACHEDYRK1A | |
| SCHEMBL2329011 | 0.80 | CYP3A4 (0.49) | CYP3A4MAOBALOX5PDGFRBPDGFRA | |
| SCHEMBL14931604 | 0.77 | MAOB (0.54) | MAOBMAOAACHEEGFR | |
| SCHEMBL856483 | 0.77 | CYP3A4 (0.51) | CYP3A4MAOBALOX5NPC1RAB9A | |
| SCHEMBL5033238 | 0.76 | MAPT (0.54) | CYP3A4MAOBALOX5NPC1RAB9A | |
| SCHEMBL1012732 | 0.76 | PIN1 (0.50) | CYP3A4MAOBALOX5MAOAACHE |
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-111253385-A | Heterocyclic compound, preparation method and application | 遵义医科大学珠海校区 | 2020-06-09 | — | — | CN | disclosed |