Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.42 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | KDM3B | Q7LBC6 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | SLC22A4 | Q9H015 | 1/20 | 0.35 |
| ▸ | PSMB8 | P28062 | 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 | |
|---|---|---|---|---|
| SCHEMBL2931775 | 0.79 | KMT2A (0.53) | CYP1A2ALDH1A1GAAKDM4EGLA | |
| SCHEMBL20168412 | 0.78 | CYP1A2 (0.58) | CYP1A2ALDH1A1BAZ2BBAZ2AGAA | |
| SCHEMBL12872720 | 0.76 | KDM3B (0.62) | GAAKDM4EGLAKDM3BKMT2A | |
| SCHEMBL12872719 | 0.73 | CYP1A2 (0.68) | CYP1A2ALDH1A1BAZ2BGAAKDM4E | |
| SCHEMBL9786676 | 0.72 | — | — | |
| SCHEMBL639436 | 0.71 | KDM4E (0.50) | ALDH1A1GAAKDM4EKMT2ATDP1 | |
| SCHEMBL2244842 | 0.70 | ALDH1A1 (0.36) | CYP1A2ALDH1A1BAZ2BBAZ2AGAA | |
| SCHEMBL70624 | 0.69 | GAA (0.67) | CYP1A2ALDH1A1BAZ2BBAZ2AGAA | |
| SCHEMBL9787207 | 0.69 | CNR2 (0.46) | LMNAHSD17B10 | |
| SCHEMBL15886954 | 0.67 | — | — |
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-2019012011-A1 | MICROBIOCIDAL OXADIAZOLE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2019-01-17 | — | — | WO | disclosed |