Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | PLAT | P00750 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL6041439 | 0.78 | TYMS (0.41) | TYMSPLGPLAUPLATCYP2A6 | |
| SCHEMBL8370910 | 0.78 | CYP2A6 (0.52) | TYMSPLGPLAUPLATCYP2A6 | |
| SCHEMBL29218979 | 0.78 | PTPN22 (0.52) | PLGPLAUPLATERN1CYP2A6 | |
| SCHEMBL3954459 | 0.78 | CYP2A6 (0.54) | PLGCYP2A6HTTLMNAALDH1A1 | |
| SCHEMBL30364973 | 0.78 | CYP2A6 (0.54) | PLGCYP2A6HTTLMNAALDH1A1 | |
| SCHEMBL17445866 | 0.78 | MCL1 (0.46) | HTTLMNAALDH1A1ESR2TSHR | |
| SCHEMBL15698104 | 0.76 | ALDH1A1 (0.40) | CYP2A6HTTLMNAALDH1A1ESR2 | |
| SCHEMBL24150000 | 0.75 | KDM4E (0.52) | TYMSPLGPLAUPLATCYP2A6 | |
| SCHEMBL12819526 | 0.75 | PTGS1 (0.40) | TYMSCYP2A6HTTLMNAALDH1A1 | |
| SCHEMBL1569370 | 0.74 | CYP2A6 (0.52) | TYMSPLGPLAUPLATCYP2A6 |
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-2004014384-A2 | CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |
| WO-2004014377-A1 | 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |