Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | REN | P00797 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 2/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.45 |
| ▸ | CTSS | P25774 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29274063 | 0.93 | MMP9 (0.57) | MMP9CTSKALDH1A1THRBCYP2C9 | |
| SCHEMBL25492090 | 0.90 | MMP9 (0.48) | MMP9RENABCB1CTSKALDH1A1 | |
| SCHEMBL25205783 | 0.90 | MMP9 (0.48) | MMP9RENABCB1CTSKALDH1A1 | |
| SCHEMBL25491992 | 0.86 | TACR1 (0.59) | MMP9RENABCB1ALDH1A1TACR1 | |
| SCHEMBL25491998 | 0.86 | TACR1 (0.59) | MMP9RENABCB1ALDH1A1TACR1 | |
| SCHEMBL10377256 | 0.85 | MMP1 (0.52) | RENCTSKMMP1CTSBCTSS | |
| SCHEMBL17015155 | 0.85 | ALDH1A1 (0.53) | CTSKALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL25000606 | 0.85 | ALDH1A1 (0.60) | CTSKALDH1A1THRBCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL7325962 | 0.84 | MMP1 (0.51) | RENCTSKMMP1CTSBCTSS | |
| SCHEMBL25492010 | 0.84 | ABCB1 (0.47) | MMP9RENABCB1ALDH1A1TACR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005040127-A1 | NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | LG LIFE SCIENCES LTD. (KR) | 2005-05-06 | — | — | WO | disclosed |