Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | GABRE | P78334 | 1/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6359091 | 0.90 | KMT2A (0.48) | MAPTKMT2ACYP2C9CYP2C19TSHR | |
| Acetic Acid SCHEMBL7428051 | 0.87 | KMT2A (0.46) | MAPTKMT2ACYP2C9CYP2C19TSHR | |
| Acetic Acid SCHEMBL7428058 | 0.85 | KMT2A (0.44) | MAPTKMT2ACYP2C9CYP2C19TSHR | |
| SCHEMBL27371818 | 0.83 | TSHR (0.53) | MAPTKMT2ACYP2C9CYP2C19TSHR | |
| SCHEMBL6237650 | 0.82 | POLB (0.43) | MAPTCYP2C9CYP2C19HSD17B10LMNA | |
| SCHEMBL1313793 | 0.81 | KMT2A (0.49) | MAPTKMT2ACYP2C9CYP2C19TSHR | |
| SCHEMBL6361867 | 0.81 | KMT2A (0.49) | MAPTKMT2ACYP2C9CYP2C19TSHR | |
| SCHEMBL20522059 | 0.81 | KMT2A (0.49) | MAPTKMT2ACYP2C9CYP2C19TSHR | |
| SCHEMBL30990046 | 0.81 | KMT2A (0.49) | MAPTKMT2ACYP2C9CYP2C19TSHR | |
| SCHEMBL6362662 | 0.81 | HSD17B10 (0.50) | MAPTKMT2ATSHRHSD17B10GABRP |
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 |