Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.51 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.51 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.51 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLB1 | P16278 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6046928 | 0.92 | S1PR1 (0.57) | S1PR1S1PR3S1PR5S1PR4HRH3 | |
| SCHEMBL172368 | 0.82 | — | — | |
| SCHEMBL4914238 | 0.82 | — | — | |
| SCHEMBL28057560 | 0.82 | HRH3 (0.60) | S1PR1S1PR3S1PR5HRH3CYP1A2 | |
| Bicarbonate SCHEMBL28170484 | 0.81 | SMN1; SMN2 (0.57) | S1PR1S1PR3S1PR5HRH3CYP1A2 | |
| SCHEMBL6506788 | 0.80 | HRH3 (0.65) | HRH3CYP1A2MAPK1SMN1; SMN2MAPT | |
| Bromide SCHEMBL2191354 | 0.80 | HRH3 (0.57) | HRH3CYP1A2MAPK1SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL557224 | 0.80 | HRH3 (0.57) | HRH3CYP1A2MAPK1SMN1; SMN2MAPT | |
| SCHEMBL20733674 | 0.80 | HRH3 (0.65) | HRH3CYP1A2MAPK1SMN1; SMN2MAPT | |
| SCHEMBL60452 | 0.80 | HRH3 (0.65) | HRH3CYP1A2MAPK1SMN1; SMN2MAPT |
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-1730157-A1 | IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS | MERCK PATENT GmbH (DE) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005105815-A1 | IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS | MERCK PATENT GMBH (DE) | 2005-11-10 | — | — | WO | disclosed |