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 | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALB | P02768 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | G6PD | P11413 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL329839 | 0.86 | KCNH2 (0.67) | MCHR1CYP2C9LMNAKCNH2CYP2C19 | |
| SCHEMBL15570886 | 0.86 | LMNA (0.50) | MCHR1CYP2C9LMNAKCNH2CYP2C19 | |
| Tetrahexylammonium SCHEMBL1818038 | 0.86 | KCNH2 (0.67) | MCHR1CYP2C9LMNAKCNH2CYP2C19 | |
| SCHEMBL6913604 | 0.86 | KCNH2 (0.67) | MCHR1CYP2C9LMNAKCNH2CYP2C19 | |
| SCHEMBL330553 | 0.86 | KCNH2 (0.67) | MCHR1CYP2C9LMNAKCNH2CYP2C19 | |
| SCHEMBL29277532 | 0.85 | NR1I2 (0.51) | CYP2C9LMNAKCNH2CYP2C19TSHR | |
| SCHEMBL330681 | 0.84 | LMNA (0.59) | MCHR1CYP2C9LMNAKCNH2CYP2C19 | |
| Cetrimonium SCHEMBL121980 | 0.84 | LMNA (0.59) | MCHR1CYP2C9LMNAKCNH2CYP2C19 | |
| SCHEMBL4457641 | 0.84 | NR1I2 (0.55) | MCHR1CYP2C9LMNAKCNH2CYP2C19 | |
| SCHEMBL331065 | 0.84 | LMNA (0.59) | MCHR1CYP2C9LMNAKCNH2CYP2C19 |
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-109943158-A | Screw-thread steel antirust solution, preparation method and screw-thread steel surface treatment method | 湖南工程学院 | 2019-06-28 | — | — | CN | disclosed |