Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 9/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.35 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.35 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL8189134 | 0.91 | TDP1 (0.35) | AKR1B1TDP1KDM4ELMNAMAPT | |
| SCHEMBL8189104 | 0.82 | KDM4E (0.36) | TDP1KDM4ELMNAMAPTHTT | |
| SCHEMBL8178803 | 0.81 | COMT (0.34) | KDM4EMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL8192289 | 0.80 | HSP90AA1 (0.36) | AKR1B1MAPTNPSR1CYP3A4ALDH1A1 | |
| SCHEMBL8190802 | 0.78 | HSD11B1 (0.44) | KDM4EHSD11B1ALDH1A1HPGD | |
| SCHEMBL8186323 | 0.76 | PPOX (0.38) | LMNAMAPTHTT | |
| SCHEMBL8188537 | 0.75 | CFTR (0.44) | KDM4ELMNAMAPTHTTNPSR1 | |
| SCHEMBL8192987 | 0.74 | PGK1 (0.36) | LMNA | |
| SCHEMBL5777107 | 0.74 | CYP3A4 (0.37) | AKR1B1TDP1KDM4ELMNAMAPT | |
| SCHEMBL8186256 | 0.73 | MEN1 (0.30) | TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6015774-A | Pyrazin-2-one derivatives, their use, and intermediates for their production | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-01-18 | — | — | US | disclosed |
| EP-0859765-A1 | PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1998-08-26 | — | — | EP | disclosed |
| WO-1997011060-A1 | PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-03-27 | — | — | WO | disclosed |