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 | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL3730987 | 0.88 | CYP3A4 (0.39) | CYP2C9CYP3A4LMNACYP2D6MAPK1 | |
| SCHEMBL16758698 | 0.86 | CYP2C9 (0.43) | CYP2C9CYP3A4LMNACYP2D6MAPK1 | |
| SCHEMBL16908428 | 0.84 | CYP2C9 (0.45) | CYP2C9CYP3A4LMNACYP2D6MAPK1 | |
| SCHEMBL3731849 | 0.84 | GAA (0.41) | CYP2C9CYP3A4LMNACYP2D6ALDH1A1 | |
| SCHEMBL4088097 | 0.83 | CYP2C9 (0.36) | CYP2C9CYP3A4LMNACYP2D6MAPK1 | |
| SCHEMBL3743490 | 0.82 | LMNA (0.37) | CYP2C9CYP3A4LMNACYP2D6MAPK1 | |
| SCHEMBL4757145 | 0.82 | CYP2C9 (0.54) | CYP2C9CYP3A4LMNACYP2D6MAPK1 | |
| SCHEMBL4091649 | 0.80 | — | — | |
| SCHEMBL3743717 | 0.79 | CYP2C9 (0.39) | CYP2C9CYP3A4LMNACYP2D6MAPK1 | |
| Sulfuric Acid SCHEMBL4083513 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2081543-A2 | BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S | Henkel AG & Co. KGaA (DE) | 2009-07-29 | — | — | EP | claimed |
| WO-2008095558-A2 | BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S | HENKEL AG & CO. KGAA (DE) | 2008-08-14 | — | — | WO | claimed |