Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.53 |
| ▸ | HPGD | P15428 | 6/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | B3GNT2 | Q9NY97 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6840351 | 0.82 | ALDH1A1 (0.72) | ALDH1A1KMT2AKDM4EHPGDHSD17B10 | |
| SCHEMBL8922345 | 0.81 | HPGD (0.65) | ALDH1A1KMT2AKDM4EHPGDHSD17B10 | |
| SCHEMBL29629313 | 0.81 | HPGD (0.65) | ALDH1A1KMT2AKDM4EHPGDHSD17B10 | |
| SCHEMBL29629312 | 0.81 | HPGD (0.65) | ALDH1A1KMT2AKDM4EHPGDHSD17B10 | |
| SCHEMBL6243935 | 0.81 | KDM4E (0.56) | ALDH1A1KMT2AKDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL8920877 | 0.80 | HPGD (0.63) | ALDH1A1KMT2AKDM4EHPGDHSD17B10 | |
| SCHEMBL21839442 | 0.79 | B3GNT2 (0.72) | ALDH1A1KMT2AKDM4EHPGDHSD17B10 | |
| SCHEMBL17434512 | 0.77 | KDM4E (0.55) | ALDH1A1KMT2AKDM4EHPGDHSD17B10 | |
| SCHEMBL6393500 | 0.76 | PARG (0.45) | ALDH1A1KMT2AKDM4EHPGDHSD17B10 | |
| SCHEMBL9747639 | 0.76 | PTGER4 (0.59) | ALDH1A1KMT2AKDM4EHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1531904-A1 | COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB | Warner-Lambert Company LLC (US) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004007024-A1 | COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |