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 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | TERT | O14746 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1982598 | 0.83 | TERT (0.49) | GAASMN1; SMN2HTTLMNACA12 | |
| Benzene SCHEMBL29261851 | 0.82 | GAA (0.56) | GAASMN1; SMN2HTTLMNACA12 | |
| SCHEMBL1254755 | 0.81 | GAA (0.43) | GAASMN1; SMN2HTTLMNACA12 | |
| SCHEMBL9131821 | 0.81 | GAA (0.43) | GAASMN1; SMN2HTTLMNACA12 | |
| SCHEMBL6514943 | 0.80 | LMNA (0.43) | GAASMN1; SMN2HTTLMNACA12 | |
| SCHEMBL670010 | 0.79 | TLR9 (0.41) | GAASMN1; SMN2HTTLMNACA12 | |
| SCHEMBL7107307 | 0.79 | LMNA (0.45) | GAASMN1; SMN2HTTLMNACA12 | |
| SCHEMBL528809 | 0.79 | CA12 (0.45) | GAASMN1; SMN2HTTLMNACA12 | |
| SCHEMBL10418852 | 0.78 | GAA (0.52) | GAASMN1; SMN2HTTLMNACA12 | |
| SCHEMBL8529640 | 0.77 | LMNA (0.41) | GAASMN1; SMN2HTTLMNACA12 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0018595-B1 | 7-N-HETEROCYCLYL CEPHALOSPORINS, A PROCESS FOR PREPARING AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | MERCK & CO. INC. (US) | 1986-08-20 | — | — | EP | disclosed |
| US-4358447-A | ZWITTERIONS | MERCK & CO., INC. (US) | 1982-11-09 | — | — | US | disclosed |
| US-4283397-A | 7-N-Heterocyclyl cephalosporins and antibiotic pharmaceutical compositions containing them | MERCK & CO., INC. (US) | 1981-08-11 | — | — | US | disclosed |
| US-4282219-A | 7-N-Heterocyclyl cephalosporins and antibiotic pharmaceutical compositions containing them | MERCK & CO., INC. (US) | 1981-08-04 | — | — | US | disclosed |
| US-4271159-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1981-06-02 | — | — | US | disclosed |
| US-4255424-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1981-03-10 | — | — | US | disclosed |