Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9493573 | 0.81 | TSHR (0.43) | KMT2AHPGDGAATSHRHTT | |
| SCHEMBL9493577 | 0.81 | TSHR (0.43) | KMT2AHPGDGAATSHRHTT | |
| SCHEMBL18621223 | 0.81 | TSHR (0.43) | KMT2AHPGDGAATSHRHTT | |
| SCHEMBL8509917 | 0.79 | ESR1 (0.40) | TRPA1ATMESR1ESR2ALDH1A1 | |
| SCHEMBL18466186 | 0.79 | TRPA1 (0.39) | TRPA1ATMESR1ESR2ALDH1A1 | |
| SCHEMBL16257060 | 0.79 | TRPA1 (0.39) | TRPA1ATMESR1ESR2ALDH1A1 | |
| SCHEMBL8509920 | 0.79 | ESR1 (0.40) | TRPA1ATMESR1ESR2ALDH1A1 | |
| SCHEMBL17963823 | 0.79 | TRPA1 (0.39) | TRPA1ATMESR1ESR2ALDH1A1 | |
| SCHEMBL17963820 | 0.79 | TRPA1 (0.39) | TRPA1ATMESR1ESR2ALDH1A1 | |
| SCHEMBL16406841 | 0.79 | ESR1 (0.44) | TRPA1ATMESR1ESR2ALDH1A1 |
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 |