Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL23977989 | 0.85 | KDM4E (0.34) | CYP3A4CYP2D6KMT2AGAACXCR5 | |
| SCHEMBL23965716 | 0.77 | GAA (0.40) | CYP3A4CYP2D6GAAHTTLMNA | |
| SCHEMBL23967941 | 0.77 | CXCR5 (0.44) | CXCR5TSHRHSD17B10KDM4E | |
| SCHEMBL23978129 | 0.74 | CYP1A2 (0.33) | CYP3A4CYP2D6KMT2ACYP1A2CYP2C9 | |
| SCHEMBL24983457 | 0.73 | TRPA1 (0.36) | CYP3A4CYP2D6KMT2AGAAMEN1 | |
| SCHEMBL23965664 | 0.73 | ESR1 (0.36) | CYP3A4CYP2D6KMT2AGAAMEN1 | |
| SCHEMBL23965658 | 0.70 | TRPA1 (0.33) | CYP3A4CYP2D6KMT2AGAAMEN1 | |
| SCHEMBL23965601 | 0.69 | ESR1 (0.41) | CYP3A4CYP2D6KMT2AGAAMEN1 | |
| SCHEMBL4155499 | 0.69 | PLK1 (0.53) | CYP3A4KMT2AGAAMEN1HTT | |
| SCHEMBL30339452 | 0.69 | PLK1 (0.53) | CYP3A4KMT2AGAAMEN1HTT |
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-3903582-A1 | USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS II | BASF SE (DE) | 2021-11-03 | — | — | EP | disclosed |