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 | 3/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10966371 | 0.96 | HTT (0.59) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL10966935 | 0.95 | HTT (0.58) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL331085 | 0.91 | HTT (0.52) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL11133518 | 0.90 | KCNH2 (0.75) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL11131181 | 0.90 | KCNH2 (0.75) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL330892 | 0.88 | LMNA (0.53) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL10860949 | 0.88 | LMNA (0.53) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL9619035 | 0.88 | KCNH2 (0.70) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL330725 | 0.88 | KCNH2 (0.70) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL331053 | 0.88 | KCNH2 (0.70) | HTTKCNH2LMNACYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4338390-A | Quarternary ammonium sulfate or sulfonate charge control agents for electrophotographic developers compatible with viton fuser | XEROX CORPORATION (US) | 1982-07-06 | — | — | US | claimed |
| EP-0053888-A2 | Electrostatic toner composition | XEROX CORPORATION (US) | 1982-06-16 | — | — | EP | claimed |