Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6443361 | 0.85 | TSHR (0.42) | ALDH1A1MAOB | |
| SCHEMBL20015568 | 0.71 | PLA2G1B (0.40) | PLA2G1BATG4BRAB9AALDH1A1NPC1 | |
| SCHEMBL2129272 | 0.68 | TSHR (0.48) | ALDH1A1MAOB | |
| SCHEMBL1304376 | 0.68 | TSHR (0.48) | KMT2AGAAALDH1A1MAOBPOLB | |
| Fluorobenzene SCHEMBL29254211 | 0.67 | NFE2L2 (0.43) | PLA2G1BATG4BKMT2AGAARAB9A | |
| Fluorobenzene SCHEMBL27673507 | 0.67 | NFE2L2 (0.43) | PLA2G1BATG4BKMT2AGAARAB9A | |
| SCHEMBL10874458 | 0.66 | CYP3A4 (0.67) | GAARAB9AALDH1A1NPC1RECQL | |
| SCHEMBL576416 | 0.66 | CALM1 (0.67) | PLA2G1BATG4BLMNARAB9AALDH1A1 | |
| SCHEMBL18702923 | 0.66 | CYP3A4 (0.67) | GAARAB9AALDH1A1NPC1RECQL | |
| SCHEMBL654154 | 0.66 | TAAR1 (0.56) | PLA2G1BATG4BLMNARAB9AALDH1A1 |
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-3998264-A1 | OXAZOLE COMPOUND AS MULTI-TARGETED INHIBITOR OF IRAK4 AND BTK | Medshine Discovery Inc. (CN) | 2022-05-18 | — | — | EP | disclosed |