Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PARG | Q86W56 | 2/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6255158 | 0.98 | HIF1A (0.44) | ALDH1A1HIF1AHTTGAAKDM4E | |
| SCHEMBL6255943 | 0.89 | HIF1A (0.48) | ALDH1A1HIF1AHTTGAAKDM4E | |
| SCHEMBL6257053 | 0.88 | ALDH1A1 (0.41) | ALDH1A1HTTGAAKDM4EMAPT | |
| SCHEMBL6445993 | 0.86 | HIF1A (0.53) | ALDH1A1HIF1AHTTGAAKDM4E | |
| SCHEMBL6472710 | 0.81 | TRPA1 (0.49) | ALDH1A1HIF1AKDM4ETRPA1MAPT | |
| SCHEMBL6256050 | 0.81 | TRPA1 (0.49) | ALDH1A1HIF1AKDM4ETRPA1MAPT | |
| SCHEMBL6252686 | 0.81 | MMP13 (0.53) | ALDH1A1KDM4ETRPA1PKMMAPT | |
| SCHEMBL6533260 | 0.80 | TRPA1 (0.47) | ALDH1A1HIF1AHTTTRPA1MAPK1 | |
| SCHEMBL6470646 | 0.79 | TRPA1 (0.40) | ALDH1A1KDM4ETRPA1PKMMAPT | |
| SCHEMBL6259076 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HTTKDM4EMAPK1PKM |
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-1536786-A1 | COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2005-06-08 | — | — | EP | disclosed |
| WO-2004006913-A1 | COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |