Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | MMP1 | P03956 | 3/20 | 0.35 |
| ▸ | MMP2 | P08253 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | MMP8 | P22894 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28371856 | 0.89 | KEAP1 (0.33) | HCAR2KEAP1NFE2L2ALDH1A1CA2 | |
| SCHEMBL4562305 | 0.85 | KEAP1 (0.31) | HCAR2KEAP1NFE2L2CA2MMP1 | |
| SCHEMBL11598686 | 0.82 | — | — | |
| SCHEMBL11161628 | 0.80 | — | — | |
| SCHEMBL9347080 | 0.79 | ALDH1A1 (0.37) | HCAR2KEAP1NFE2L2ALDH1A1CA2 | |
| SCHEMBL8938063 | 0.77 | — | — | |
| Butane SCHEMBL10802093 | 0.72 | MMP1 (0.42) | CA2MMP1MMP2CA12CA1 | |
| Phosphoric Acid SCHEMBL28234963 | 0.71 | MMP2 (0.46) | HCAR2KEAP1NFE2L2ALDH1A1CA2 | |
| SCHEMBL9146465 | 0.70 | ALDH1A1 (0.57) | HCAR2ALDH1A1TSHR | |
| SCHEMBL7353255 | 0.70 | ELANE (0.35) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104245674-A | Novel phenyl-tetrahydroisoquinoline derivatives | HOFFMANN LA ROCHE | 2014-12-24 | — | — | CN | disclosed |
| CN-1875002-B | Phenyl derivatives as PPAR agonists | HOFFMANN LA ROCHE | 2011-08-03 | — | — | CN | disclosed |
| CN-1946698-B | Pyrazole phenyl derivatives as ppar activators | HOFFMANN LA ROCHE | 2010-12-01 | — | — | CN | disclosed |
| CN-1946698-A | Pyrazole phenyl derivatives as ppar activators | HOFFMANN LA ROCHE (CH) | 2007-04-11 | — | — | CN | disclosed |
| CN-1875002-A | Phenyl derivatives as PPAR agonists | HOFFMANN LA ROCHE (CH) | 2006-12-06 | — | — | CN | disclosed |
| CN-1875001-A | Benzocyclolated compounds as PPAR activators | HOFFMANN LA ROCHE (CH) | 2006-12-06 | — | — | CN | disclosed |
| CN-1280381-C | Oil-keeping treating agent, oil-keeping treating method and treated colck and watch by the same method | CITIZEN WATCH CO LTD (JP) | 2006-10-18 | — | — | CN | disclosed |
| CN-1487051-A | Oil-keeping treating agent, oil-keeping treating method and treated colck and watch by the same method | 西铁城时计株式会社 | 2004-04-07 | — | — | CN | disclosed |