Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17896128 | 0.99 | ALDH1A1 (0.37) | ALDH1A1PLK1CSNK2A1PLK3KDM4E | |
| SCHEMBL17896093 | 0.95 | ALDH1A1 (0.38) | ALDH1A1PLK1CSNK2A1PLK3KDM4E | |
| Hydrochloric Acid SCHEMBL17896096 | 0.94 | ALDH1A1 (0.37) | ALDH1A1PLK1CSNK2A1PLK3KDM4E | |
| SCHEMBL17895841 | 0.89 | ELANE (0.32) | ELANESPR | |
| SCHEMBL17895886 | 0.88 | ELANE (0.34) | PLK1CSNK2A1PLK3ELANESPR | |
| SCHEMBL17896048 | 0.88 | USP2 (0.33) | ALDH1A1KDM4EELANESPR | |
| SCHEMBL17901948 | 0.88 | KDM4E (0.33) | ALDH1A1KDM4EELANESPR | |
| SCHEMBL17896114 | 0.86 | HSD11B1 (0.36) | ALDH1A1KDM4EELANESPR | |
| SCHEMBL17896107 | 0.85 | USP2 (0.34) | ALDH1A1PLK1CSNK2A1PLK3KDM4E | |
| SCHEMBL17895850 | 0.85 | KDM4E (0.35) | KDM4EELANESPR |
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-2016109706-A1 | FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-07-07 | — | — | WO | claimed |