Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 17/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MAOA | P21397 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3391553 | 0.81 | PYCR1 (0.61) | PYCR1LMNAMAOAUSP2CYP3A4 | |
| SCHEMBL12124971 | 0.81 | SLC6A2 (0.54) | ALDH1A1 | |
| SCHEMBL12831776 | 0.78 | SLC6A4 (0.50) | CYP3A4 | |
| SCHEMBL16269319 | 0.78 | SCN8A (0.47) | PYCR1LMNAMAOAUSP2CYP3A4 | |
| SCHEMBL18137967 | 0.78 | SLC6A2 (0.56) | ALDH1A1 | |
| SCHEMBL11473731 | 0.78 | CARM1 (0.53) | — | |
| SCHEMBL3812562 | 0.77 | PYCR1 (0.69) | PYCR1LMNAMAOAUSP2CYP3A4 | |
| SCHEMBL13965863 | 0.75 | SLC6A2 (0.50) | — | |
| SCHEMBL13975853 | 0.75 | SLC6A2 (0.58) | — | |
| SCHEMBL22651953 | 0.74 | SLC6A2 (0.48) | ALDH1A1 |
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-2246329-A1 | 4(1H)-pyridinone derivatives and their use as antimalaria agents | Glaxo Group Limited (GB) | 2010-11-03 | — | — | EP | disclosed |