Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL10613322 | 0.85 | HDAC8 (0.44) | HDAC8CYP2A6CA1CA2CA9 | |
| SCHEMBL5487281 | 0.84 | HDAC8 (0.41) | HDAC8CYP2A6TRPV4PGRELANE | |
| SCHEMBL17845868 | 0.81 | HTT (0.38) | CA1CA2CA9ACHEKDM4E | |
| SCHEMBL28336347 | 0.80 | HDAC8 (0.56) | HDAC8CYP2A6CA2CA9CA12 | |
| Iodide SCHEMBL10672612 | 0.78 | HDAC8 (0.54) | HDAC8CYP2A6CA2CA9CA12 | |
| Hydrochloric Acid SCHEMBL8775042 | 0.78 | HDAC8 (0.54) | HDAC8CYP2A6CA2CA9CYP19A1 | |
| SCHEMBL11758904 | 0.76 | HDAC8 (0.38) | HDAC8ACHEKDM4EMEN1PSMD14 | |
| SCHEMBL5085627 | 0.75 | KMT2A (0.33) | PGRCA1CA2ACHEKDM4E | |
| SCHEMBL5485690 | 0.72 | HDAC8 (0.39) | HDAC8KDM4EMEN1PSMD14MAPT | |
| SCHEMBL10340884 | 0.72 | PTPN11 (0.36) | — |
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-1854786-A1 | Ionic liquids and their use in extraction processes | BP p.l.c. (GB) | 2007-11-14 | — | — | EP | claimed |
| EP-1854786-A1 | Ionic liquids and their use in extraction processes | BP p.l.c. (GB) | 2007-11-14 | — | — | EP | disclosed |