Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 2/20 | 0.50 |
| ▸ | MMP8 | P22894 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1933420 | 0.86 | SLC6A2 (0.52) | SLC6A2TAAR1SMN1; SMN2HIF1ABLM | |
| SCHEMBL6247793 | 0.86 | SLC6A2 (0.52) | SLC6A2TAAR1SMN1; SMN2HIF1ABLM | |
| SCHEMBL6247788 | 0.86 | SLC6A2 (0.52) | SLC6A2TAAR1SMN1; SMN2HIF1ABLM | |
| SCHEMBL19407345 | 0.83 | SMN1; SMN2 (0.49) | SLC6A2TAAR1SMN1; SMN2HIF1ABLM | |
| SCHEMBL28927912 | 0.83 | MMP8 (0.63) | SLC6A2TAAR1SMN1; SMN2HIF1ABLM | |
| SCHEMBL9721523 | 0.81 | SMN1; SMN2 (0.55) | SLC6A2TAAR1SMN1; SMN2HIF1AMMP8 | |
| SCHEMBL3558475 | 0.81 | SMN1; SMN2 (0.47) | SLC6A2TAAR1SMN1; SMN2HIF1ABLM | |
| SCHEMBL3558478 | 0.81 | SMN1; SMN2 (0.47) | SLC6A2TAAR1SMN1; SMN2HIF1ABLM | |
| SCHEMBL202327 | 0.81 | BLM (0.72) | SLC6A2TAAR1SMN1; SMN2HIF1ABLM | |
| SCHEMBL122296 | 0.81 | BLM (0.72) | SLC6A2TAAR1SMN1; SMN2HIF1ABLM |
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-1740581-B1 | 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2012-08-22 | — | — | EP | disclosed |