Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1287928 | 0.95 | ALDH1A1 (0.53) | ALDH1A1CYP2C9CYP2C19L3MBTL1DRD1 | |
| SCHEMBL1687638 | 0.80 | ADORA2A (0.36) | ALDH1A1L3MBTL1ARKDM4E | |
| SCHEMBL1287915 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CYP2C9CYP2C19L3MBTL1KMT2A | |
| SCHEMBL1287950 | 0.77 | KMT2A (0.36) | ALDH1A1CYP2C9CYP2C19L3MBTL1KMT2A | |
| SCHEMBL1287911 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CYP2C9CYP2C19L3MBTL1KMT2A | |
| SCHEMBL9016369 | 0.71 | ALDH1A1 (0.56) | ALDH1A1CYP2C9CYP2C19KMT2ATSHR | |
| SCHEMBL9597854 | 0.71 | ALDH1A1 (0.53) | ALDH1A1CYP2C9CYP2C19KMT2ATSHR | |
| SCHEMBL1287902 | 0.68 | ALDH1A1 (0.39) | ALDH1A1CYP2C9CYP2C19L3MBTL1DAO | |
| SCHEMBL8067219 | 0.68 | ALDH1A1 (0.55) | ALDH1A1CYP2C9CYP2C19L3MBTL1KMT2A | |
| SCHEMBL7535269 | 0.67 | ALDH1A1 (0.54) | ALDH1A1CYP2C9CYP2C19KMT2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012047993-A2 | N-HYDROXYPYRIMIDINE-2,4-DIONES AS INHIBITORS OF HIV AND HCV | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2012-04-12 | — | — | WO | disclosed |