Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 4/20 | 0.37 |
| ▸ | COMT | P21964 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29557242 | 0.84 | PDE4A (0.40) | CYP2C9CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL13615359 | 0.76 | CYP1A2 (0.67) | CYP2C9CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL20673417 | 0.74 | CYP2C9 (0.53) | CYP2C9CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL21713129 | 0.73 | CYP1A2 (0.44) | CYP2C9CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL16120446 | 0.73 | ALDH1A1 (0.34) | KDM4EMAPTALDH1A1NPC1LMNA | |
| SCHEMBL21981602 | 0.72 | CYP1A2 (0.50) | CYP2C9CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL16060163 | 0.72 | CYP1A2 (0.50) | CYP2C9CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL21713073 | 0.70 | CYP1A2 (0.44) | CYP2C9CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL12543097 | 0.70 | KMT2A (0.55) | CYP2C9CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL4343263 | 0.70 | BACE1 (0.52) | CYP2C9CYP1A2CYP2C19KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024068519-A1 | 3-(HETERO)ARYL-5-CHLORODIFLUOROMETHYL-1,2,4-OXADIAZOLE AS FUNGICIDE | BAYER AKTIENGESELLSCHAFT (DE) | 2024-04-04 | — | — | WO | disclosed |