Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22014602 | 0.87 | HDAC1 (0.31) | — | |
| SCHEMBL21963671 | 0.81 | KMT2A (0.32) | KMT2APTGS2KDM4EALDH1A1 | |
| SCHEMBL22015229 | 0.76 | — | — | |
| SCHEMBL22014911 | 0.74 | FDPS (0.33) | KMT2AMEN1ALDH1A1 | |
| Bromide SCHEMBL21963675 | 0.73 | FDPS (0.32) | — | |
| SCHEMBL22014912 | 0.72 | — | — | |
| SCHEMBL21963674 | 0.70 | — | — | |
| SCHEMBL21963669 | 0.68 | PABPC1 (0.31) | — | |
| SCHEMBL22014609 | 0.68 | — | — | |
| SCHEMBL22015656 | 0.66 | PABPC1 (0.38) | KDM4EMAPTL3MBTL1ALDH1A1 |
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-2020099407-A1 | HERBICIDAL COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2020-05-22 | — | — | WO | disclosed |