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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 6/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1001565 | 0.77 | KDM4E (0.46) | GAAPOLBKDM4EALDH1A1HPGD | |
| SCHEMBL4848699 | 0.75 | LMNA (0.45) | GAAPOLBKDM4EALDH1A1HPGD | |
| 1-Ethylquinolonium SCHEMBL11069884 | 0.74 | KDM4E (0.50) | GAAPOLBKDM4ELMNAHTT | |
| SCHEMBL6930623 | 0.74 | KDM4E (0.50) | KDM4EMEN1KMT2A | |
| Water SCHEMBL7556226 | 0.74 | LMNA (0.44) | GAAPOLBKDM4EALDH1A1HPGD | |
| SCHEMBL1836203 | 0.73 | KDM4E (0.56) | GAAPOLBKDM4EALDH1A1HPGD | |
| SCHEMBL3396649 | 0.73 | KDM4E (0.41) | GAAKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL3993627 | 0.72 | ACHE (0.43) | GAAPOLBKDM4EALDH1A1HPGD | |
| SCHEMBL2335965 | 0.72 | KDM4E (0.39) | GAAPOLBKDM4EALDH1A1HPGD | |
| SCHEMBL5277605 | 0.72 | GAA (0.62) | GAAKDM4EALDH1A1HPGDLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4994448-A | Analgesics, anesthetics, muscle relaxants | EGIS GYOGYSZERGYAR (HU) | 1991-02-19 | — | — | US | disclosed |