Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM6B | O15054 | 1/20 | 0.48 |
| ▸ | KDM5C | P41229 | 1/20 | 0.48 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.48 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.48 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL291621 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL519616 | 0.83 | KDM6B (0.60) | KDM6BKDM5CEGLN1PHF8KDM2A | |
| SCHEMBL6111969 | 0.73 | KDM6B (0.80) | KDM6BKDM5CEGLN1PHF8KDM2A | |
| Butyric Acid SCHEMBL27791153 | 0.73 | FFAR3 (0.62) | ALDH1A1MEN1KMT2ACES2CES1 | |
| SCHEMBL8503383 | 0.73 | KDM6B (0.58) | KDM6BKDM5CEGLN1PHF8KDM2A | |
| Trimethylammonium SCHEMBL348029 | 0.71 | CA2 (0.35) | CA2TSHR | |
| SCHEMBL15798796 | 0.71 | KDM6B (0.45) | KDM6BKDM5CEGLN1PHF8KDM2A | |
| SCHEMBL15798688 | 0.71 | KDM6B (0.45) | KDM6BKDM5CEGLN1PHF8KDM2A | |
| SCHEMBL219326 | 0.71 | KDM6B (0.56) | KDM6BKDM5CEGLN1PHF8KDM2A | |
| SCHEMBL28168718 | 0.71 | CA1 (0.34) | CA2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-110730841-A | Reinforcement system and method for the manufacture of a paper web comprising cellulosic fibers | 凯米拉公司 | 2020-01-24 | — | — | CN | disclosed |