Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2889217 | 0.80 | — | — | |
| SCHEMBL13406335 | 0.78 | ALDH1A1 (0.33) | ALDH1A1LMNACA12CA1CA2 | |
| SCHEMBL10886397 | 0.72 | — | — | |
| SCHEMBL12765334 | 0.71 | ARG1 (0.36) | ALDH1A1CA12CA2MAOAMAOB | |
| Propionamide SCHEMBL19711859 | 0.71 | MEN1 (0.38) | ALDH1A1LMNACA12CA1CA2 | |
| Propionamide SCHEMBL28289610 | 0.71 | MEN1 (0.38) | ALDH1A1LMNACA12CA1CA2 | |
| SCHEMBL13386684 | 0.70 | MAOA (0.33) | ALDH1A1CA12CA1CA2MAOA | |
| SCHEMBL14069660 | 0.70 | GRIA1 (0.46) | ALDH1A1 | |
| SCHEMBL16113207 | 0.70 | ALDH1A1 (0.45) | ALDH1A1LMNACA12CA1CA2 | |
| SCHEMBL21393561 | 0.67 | CA12 (0.36) | CA12CA2MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086585-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |