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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| SCHEMBL11217465 | 0.78 | HTT (0.45) | HTTSMN1; SMN2LMNAARCNR2 | |
| SCHEMBL10991693 | 0.77 | ATM (0.50) | HTTSMN1; SMN2LMNACA1CA2 | |
| SCHEMBL7405970 | 0.76 | SMN1; SMN2 (0.49) | HTTSMN1; SMN2LMNACA1CA2 | |
| SCHEMBL9182298 | 0.74 | CHRNB4 (0.48) | HTTSMN1; SMN2LMNAARKMT2A | |
| SCHEMBL64621 | 0.71 | CA12 (0.46) | HTTSMN1; SMN2LMNACA1CA2 | |
| SCHEMBL3839710 | 0.71 | CA12 (0.46) | HTTSMN1; SMN2LMNACA1CA2 | |
| Toluene SCHEMBL2311942 | 0.70 | LMNA (0.50) | HTTSMN1; SMN2LMNACA1CA2 | |
| Toluene SCHEMBL27765033 | 0.70 | LMNA (0.50) | HTTSMN1; SMN2LMNACA1CA2 | |
| SCHEMBL10418852 | 0.70 | GAA (0.52) | HTTSMN1; SMN2LMNACA1CA2 | |
| SCHEMBL4463639 | 0.70 | GAA (0.56) | SMN1; SMN2LMNACA1CA2CA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57142965-A | — | — | None | — | — | JP | disclosed |
| JP-S57142965-A | SULFONIUM COMPOUND AND ITS PREPARATION | TAIHO YAKUHIN KOGYO KK | 1982-09-03 | — | — | JP | disclosed |