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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD4 | P21917 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10991693 | 0.89 | ATM (0.50) | HTTSMN1; SMN2LMNAKMT2AMEN1 | |
| SCHEMBL9182298 | 0.82 | CHRNB4 (0.48) | HTTSMN1; SMN2DRD2DRD4DRD3 | |
| SCHEMBL11293367 | 0.82 | KCNA3 (0.42) | HTTKMT2ARAB9AMEN1ALDH1A1 | |
| SCHEMBL11217289 | 0.81 | ALDH1A1 (0.48) | HTTSMN1; SMN2LMNAKMT2ANPC1 | |
| SCHEMBL10985811 | 0.80 | ALDH1A1 (0.49) | SMN1; SMN2KMT2AMEN1ALDH1A1GAA | |
| SCHEMBL10991698 | 0.80 | HTT (0.41) | HTTSMN1; SMN2DRD2DRD4DRD3 | |
| Trifluoromethanesulfonic Acid SCHEMBL11286095 | 0.79 | GPR3 (0.41) | HTTKMT2AMEN1ALDH1A1L3MBTL1 | |
| SCHEMBL795618 | 0.79 | KCNA3 (0.58) | DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL11220271 | 0.78 | HTT (0.43) | HTTSMN1; SMN2LMNAKMT2AAR | |
| SCHEMBL10932759 | 0.78 | CNR2 (0.48) | HTTLMNAKMT2ARAB9AMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0050440-A1 | Sulphonium compounds and herbicidal compositions containing them | FBC LIMITED (GB) | 1982-04-28 | — | — | EP | claimed |
| JP-57140762-A | — | — | None | — | — | JP | disclosed |
| JP-S57140762-A | SULFONIUM COMPOUND AND ITS PREPARATION | TAIHO YAKUHIN KOGYO KK | 1982-08-31 | — | — | JP | disclosed |
| EP-0050440-A1 | Sulphonium compounds and herbicidal compositions containing them | FBC LIMITED (GB) | 1982-04-28 | — | — | EP | disclosed |