Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.54 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8348550 | 0.84 | SCN8A (0.55) | SCN8AEPHX2NR1H4KDM1AHTR2C | |
| Hydrochloric Acid SCHEMBL6122751 | 0.82 | SCN8A (0.54) | SCN8AEPHX2NR1H4KDM1AHTR2C | |
| SCHEMBL3962793 | 0.81 | SCN8A (0.54) | SCN8AEPHX2NR1H4KDM1AHTR2C | |
| SCHEMBL13527792 | 0.80 | PYCR1 (0.79) | PYCR1 | |
| SCHEMBL22729788 | 0.79 | PYCR1 (0.61) | PYCR1ALDH1A1SMN1; SMN2RAB9A | |
| Hydrochloric Acid SCHEMBL3168845 | 0.78 | PYCR1 (0.76) | PYCR1MAPT | |
| SCHEMBL13123456 | 0.77 | SCN8A (0.50) | SCN8AEPHX2NR1H4KDM1AHTR2C | |
| SCHEMBL19690421 | 0.77 | PYCR1 (0.59) | PYCR1SCN8AALDH1A1 | |
| SCHEMBL3215494 | 0.77 | ALDH1A1 (0.44) | EPHX2NR1H4KDM1AHTR2CALDH1A1 | |
| SCHEMBL178527 | 0.77 | EPHX2 (0.51) | SCN8AEPHX2NR1H4KDM1AHTR2C |
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 |