Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 8/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MTHFD1 | P11586 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17901954 | 0.93 | PARP1 (0.41) | PARP1ALOX5PTGS1PTGS2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL17895837 | 0.92 | PARP1 (0.41) | PARP1ALOX5PTGS1PTGS2ALDH1A1 | |
| SCHEMBL17901915 | 0.88 | KDM4E (0.43) | PARP1ALOX5PTGS1PTGS2ALDH1A1 | |
| SCHEMBL17895979 | 0.85 | PARP1 (0.44) | PARP1ALDH1A1POLBTSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL17896014 | 0.84 | PARP1 (0.43) | PARP1ALDH1A1POLBTSHRMAPK1 | |
| SCHEMBL17895862 | 0.82 | KMT2A (0.40) | PARP1ALDH1A1MAPK1KDM4ECYP2C19 | |
| SCHEMBL17896031 | 0.81 | FABP4 (0.34) | PARP1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL17896043 | 0.80 | FABP4 (0.34) | PARP1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL17895900 | 0.80 | KDM4E (0.41) | PARP1ALDH1A1KDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL17896134 | 0.80 | KDM4E (0.41) | PARP1ALDH1A1KDM4EHPGDHSD17B10 |
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 |