Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL14757063 | 1.00 | NPSR1 (0.31) | NPSR1SLC16A3USP2ALDH1A1RECQL | |
| Hydrochloric Acid SCHEMBL14745924 | 0.99 | NPSR1 (0.30) | NPSR1SLC16A3 | |
| Hydrochloric Acid SCHEMBL14745925 | 0.99 | NPSR1 (0.30) | NPSR1SLC16A3 | |
| SCHEMBL17593319 | 0.88 | SLC16A3 (0.32) | NPSR1SLC16A3 | |
| SCHEMBL14757061 | 0.88 | SLC16A3 (0.32) | NPSR1SLC16A3 | |
| Hydrochloric Acid SCHEMBL18628258 | 0.86 | — | — | |
| SCHEMBL17593332 | 0.86 | KDM4E (0.30) | SLC16A3 | |
| SCHEMBL14756992 | 0.86 | KDM4E (0.30) | SLC16A3 | |
| SCHEMBL14757038 | 0.86 | HRH4 (0.38) | — | |
| Hydrochloric Acid SCHEMBL14745596 | 0.85 | KDM4E (0.30) | — |
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-2016039938-A1 | POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-03-17 | — | — | WO | disclosed |