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 | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | SOAT2 | O75908 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9631619 | 0.84 | NR1I2 (0.40) | NR1I2LMNAKCNH2CYP2D6CYP2C9 | |
| SCHEMBL9675753 | 0.82 | NR1I2 (0.48) | NR1I2LMNAKCNH2CYP2D6CYP2C9 | |
| SCHEMBL9634519 | 0.82 | NR1I2 (0.48) | NR1I2LMNAKCNH2CYP2D6CYP2C9 | |
| Iodide SCHEMBL10731914 | 0.81 | SOAT2 (0.44) | LMNACYP2D6CYP2C9TSHRCYP2C19 | |
| Iodide SCHEMBL4819097 | 0.79 | CYP1A2 (0.42) | LMNACYP2D6CYP2C9TSHRCYP2C19 | |
| Bromide SCHEMBL552222 | 0.79 | CYP3A4 (0.42) | LMNACYP2D6CYP2C9TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL6928248 | 0.79 | CNR2 (0.45) | NR1I2LMNAKCNH2CYP2D6CYP2C9 | |
| SCHEMBL9145385 | 0.78 | KCNH2 (0.41) | NR1I2LMNAKCNH2CYP2D6CYP2C9 | |
| SCHEMBL9784991 | 0.75 | KCNH2 (0.46) | NR1I2LMNAKCNH2CYP2D6CYP2C9 | |
| Bromide SCHEMBL9460670 | 0.74 | CYP1A2 (0.47) | LMNACYP2D6CYP2C9TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0410244-A1 | Leukotriene antagonists | BAYER AG (DE) | 1991-01-30 | — | — | EP | disclosed |