Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6471284 | 0.90 | MEN1 (0.46) | MEN1KMT2AMAPTSMN1; SMN2LMNA | |
| SCHEMBL6258578 | 0.90 | ALDH1A1 (0.44) | NPSR1MEN1KMT2AMAPTPOLB | |
| SCHEMBL6470998 | 0.88 | POLB (0.42) | MEN1KMT2AMAPTSMN1; SMN2POLB | |
| SCHEMBL6473171 | 0.87 | MEN1 (0.41) | MEN1KMT2AMAPTSMN1; SMN2LMNA | |
| SCHEMBL6470730 | 0.87 | TP53 (0.48) | NPSR1MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL6472301 | 0.86 | MMP1 (0.47) | MEN1KMT2AMAPTSMN1; SMN2LMNA | |
| SCHEMBL6257046 | 0.86 | THRB (0.47) | MEN1KMT2AMAPTSMN1; SMN2LMNA | |
| SCHEMBL6476368 | 0.86 | MEN1 (0.44) | MEN1KMT2ASMN1; SMN2GAAPOLB | |
| SCHEMBL6258893 | 0.86 | MEN1 (0.42) | MEN1KMT2ASMN1; SMN2GAAPOLB | |
| SCHEMBL6253632 | 0.85 | MEN1 (0.43) | MEN1KMT2AMAPTLMNAPOLB |
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-1530467-A2 | COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | disclosed |
| WO-2004006912-A2 | COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |