Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25240582 | 0.80 | — | — | |
| SCHEMBL11234581 | 0.79 | CA1 (0.40) | ALDH1A1 | |
| SCHEMBL7440819 | 0.78 | — | — | |
| SCHEMBL248143 | 0.78 | ALDH1A1 (0.50) | MMP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL6566857 | 0.78 | CA1 (0.39) | ALDH1A1 | |
| SCHEMBL4485811 | 0.77 | ALDH1A1 (0.36) | ALDH1A1TDP1 | |
| SCHEMBL27941910 | 0.75 | ALDH1A1 (0.35) | ALDH1A1TDP1 | |
| SCHEMBL22605826 | 0.74 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL11004388 | 0.74 | MMP1 (0.36) | MMP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL26622661 | 0.74 | GRIK1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110267650-A | Cancer of pancreas treatment | 杏国新药股份有限公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-108883068-A | Methods of treating breast cancer using cationic liposome formulations of taxanes, non-liposome formulations of taxanes, and other active agents in combination | 杏国新药股份有限公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-101255125-A | Process for preparation of 2-alkoxy-6-(trifluoromethyl)pyrimidin-4-ol | LONZA AG (CH) | 2008-09-03 | — | — | CN | disclosed |
| CN-100349878-C | Process for preparing 2-alkoxy-6- (trifluoromethyl) pyrimidin-4-ols | LONZA AG (CH) | 2007-11-21 | — | — | CN | disclosed |