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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL11292461 | 0.86 | LMNA (0.40) | LMNAHTTSMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL31753460 | 0.79 | LMNA (0.49) | LMNAHTTSMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL717113 | 0.79 | LMNA (0.49) | LMNAHTTSMN1; SMN2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL9541663 | 0.76 | NPC1 (0.32) | SMN1; SMN2BCHEACHE | |
| SCHEMBL30254059 | 0.75 | KDM4E (0.45) | LMNAHTTSMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL5949650 | 0.75 | KDM4E (0.45) | LMNAHTTSMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL10418852 | 0.72 | GAA (0.52) | LMNAHTTSMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL6909333 | 0.72 | GAA (0.62) | LMNASMN1; SMN2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9131821 | 0.72 | GAA (0.43) | LMNAHTTSMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL10913095 | 0.72 | GAA (0.43) | LMNAHTTSMN1; SMN2CYP3A4CYP2D6 |
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-0108645-A2 | Novel ailanthone derivative | SUNTORY LIMITED (JP) | 1984-05-16 | — | — | EP | disclosed |