Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | PARP1 | P09874 | 12/20 | 0.38 |
| ▸ | DHODH | Q02127 | 3/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | TNK1 | Q13470 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17895900 | 0.93 | KDM4E (0.41) | KDM4EALDH1A1HPGDHSD17B10PARP1 | |
| Hydrochloric Acid SCHEMBL17896134 | 0.92 | KDM4E (0.41) | KDM4EALDH1A1HPGDHSD17B10PARP1 | |
| SCHEMBL17901914 | 0.88 | PARP1 (0.39) | KDM4EALDH1A1HPGDHSD17B10PARP1 | |
| SCHEMBL17895862 | 0.82 | KMT2A (0.40) | KDM4EALDH1A1HPGDHSD17B10PARP1 | |
| SCHEMBL17896081 | 0.80 | ALDH1A1 (0.36) | KDM4EALDH1A1HPGDHSD17B10DHODH | |
| SCHEMBL17901954 | 0.80 | PARP1 (0.41) | KDM4EALDH1A1HPGDPARP1ALOX5 | |
| Hydrochloric Acid SCHEMBL17895837 | 0.80 | PARP1 (0.41) | KDM4EALDH1A1HPGDPARP1ALOX5 | |
| Hydrochloric Acid SCHEMBL17895851 | 0.80 | KDM4E (0.36) | KDM4EALDH1A1HPGDHSD17B10DHODH | |
| SCHEMBL17525590 | 0.79 | KDM4E (0.35) | KDM4EALDH1A1HPGDHSD17B10PARP1 | |
| SCHEMBL17525640 | 0.79 | KDM4E (0.35) | KDM4EALDH1A1HPGDHSD17B10PARP1 |
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 | disclosed |