Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | AXL | P30530 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 2/20 | 0.40 |
| ▸ | F10 | P00742 | 2/20 | 0.40 |
| ▸ | PLG | P00747 | 2/20 | 0.40 |
| ▸ | PLAU | P00749 | 2/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7891159 | 0.84 | CYP2A6 (0.52) | CYP2A6KEAP1AXLLMNAMAPT | |
| SCHEMBL3710973 | 0.82 | MMP2 (0.60) | CYP2A6KEAP1AXLMAPTMAOA | |
| SCHEMBL7906683 | 0.82 | F2 (0.58) | CYP2A6KEAP1F2F10PLG | |
| SCHEMBL13267581 | 0.76 | MAOB (0.55) | CYP2A6KEAP1AXLMAPTMAOA | |
| SCHEMBL1105989 | 0.76 | HRH3 (0.59) | CYP2A6KEAP1AXLMAPTMAOA | |
| SCHEMBL12958495 | 0.76 | CYP2A6 (0.52) | CYP2A6KEAP1AXLLMNAMAPT | |
| SCHEMBL10143894 | 0.76 | CYP2A6 (0.52) | CYP2A6KEAP1AXLLMNAMAPT | |
| SCHEMBL25139676 | 0.72 | KDM4E (0.51) | CYP2A6KEAP1AXLLMNAMAPT | |
| SCHEMBL19058581 | 0.72 | MAOA (0.57) | CYP2A6KEAP1LMNAMAPTMAOA | |
| SCHEMBL8149140 | 0.72 | CYP2A6 (0.47) | CYP2A6KEAP1AXLLMNAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010093191-A2 | NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | LG LIFE SCIENCES LTD. (KR) | 2010-08-19 | — | — | WO | disclosed |
| WO-2010093191-A2 | NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | LG LIFE SCIENCES LTD. (KR) | 2010-08-19 | — | — | WO | disclosed |