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 | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | BCHE | P06276 | 4/20 | 0.35 |
| ▸ | ACHE | P22303 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3341816 | 0.84 | PTGS2 (0.40) | LMNAHTTSMN1; SMN2GAACA9 | |
| SCHEMBL9131821 | 0.77 | GAA (0.43) | LMNAHTTSMN1; SMN2GAABCHE | |
| SCHEMBL840717 | 0.76 | ACHE (0.43) | LMNAHTTSMN1; SMN2BCHEACHE | |
| SCHEMBL1982598 | 0.75 | TERT (0.49) | LMNAHTTSMN1; SMN2GAABCHE | |
| Iodide SCHEMBL10358237 | 0.74 | ACHE (0.42) | LMNAHTTSMN1; SMN2BCHEACHE | |
| Hydrochloric Acid SCHEMBL4727803 | 0.74 | ACHE (0.42) | LMNAHTTBCHEACHETDP1 | |
| Hydrochloric Acid SCHEMBL29103227 | 0.74 | ACHE (0.42) | LMNAHTTSMN1; SMN2BCHEACHE | |
| Hydrochloric Acid SCHEMBL29103228 | 0.74 | ACHE (0.42) | LMNAHTTBCHEACHETDP1 | |
| Benzene SCHEMBL29261851 | 0.74 | GAA (0.56) | LMNAHTTSMN1; SMN2GAABCHE | |
| SCHEMBL1254755 | 0.74 | GAA (0.43) | LMNAHTTSMN1; SMN2GAATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110204479-A | A kind of functionality BTI oxidant and its preparation method and application | 江苏理工学院 | 2019-09-06 | — | — | CN | disclosed |