Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2492972 | 0.78 | — | — | |
| SCHEMBL2202945 | 0.76 | DHFR (0.37) | ALDH1A1CYP3A4XDHTP53ALOX15 | |
| SCHEMBL6683119 | 0.76 | ALDH1A1 (0.34) | ALDH1A1CYP3A4XDHTP53ALOX15 | |
| SCHEMBL9617311 | 0.76 | ALDH1A1 (0.39) | ALDH1A1CYP3A4XDHTP53ALOX15 | |
| SCHEMBL10822233 | 0.76 | XDH (0.43) | ALDH1A1CYP3A4XDHTP53ALOX15 | |
| SCHEMBL12697280 | 0.76 | GAA (0.46) | ALDH1A1L3MBTL1MAPTKDM4EGAA | |
| SCHEMBL9999442 | 0.74 | XDH (0.34) | ALDH1A1CYP3A4XDHTP53ALOX15 | |
| Hydrochloric Acid SCHEMBL9281543 | 0.74 | GAA (0.44) | ALDH1A1L3MBTL1MAPTKDM4EGAA | |
| SCHEMBL18131703 | 0.72 | — | — | |
| SCHEMBL9999277 | 0.71 | ALDH1A1 (0.33) | ALDH1A1CYP3A4XDHTP53ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1411048-A1 | Preparation of 2-bromo-pyrimidines and 2-iodo-pyrimidines | MERCK PATENT GmbH (DE) | 2004-04-21 | — | — | EP | disclosed |