Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12371261 | 1.00 | KDM4E (0.54) | KDM4EHTTALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL3312950 | 1.00 | KDM4E (0.54) | KDM4EHTTALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL3303617 | 0.98 | KDM4E (0.53) | KDM4EHTTALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL1160812 | 0.95 | KDM4E (0.49) | KDM4EHTTALDH1A1L3MBTL1HRH3 | |
| SCHEMBL12881281 | 0.93 | HRH3 (0.50) | KDM4EHTTALDH1A1L3MBTL1HRH3 | |
| SCHEMBL3311913 | 0.93 | HRH3 (0.50) | KDM4EHTTALDH1A1L3MBTL1HRH3 | |
| Bromide SCHEMBL2354968 | 0.93 | KDM4E (0.47) | KDM4EHTTALDH1A1L3MBTL1HRH3 | |
| Hydrochloric Acid SCHEMBL2939256 | 0.93 | KDM4E (0.47) | KDM4EHTTALDH1A1L3MBTL1HRH3 | |
| SCHEMBL21348358 | 0.91 | KDM4E (0.47) | KDM4EHTTALDH1A1L3MBTL1HRH3 | |
| SCHEMBL12371263 | 0.91 | HRH3 (0.49) | KDM4EHTTALDH1A1L3MBTL1HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110202328-A1 | System for the determination of selective absorbent molecules through predictive correlations | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-08-18 | — | — | US | disclosed |
| US-20110202328-A1 | System for the determination of selective absorbent molecules through predictive correlations | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-08-18 | — | — | US | disclosed |