Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.42 |
| ▸ | AR | P10275 | 3/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | ESRRA | P11474 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4595012 | 0.85 | PTPN1 (0.45) | CYP2C19ALDH1A1KDM4EUSP2HPGD | |
| SCHEMBL26085049 | 0.81 | ALDH1A1 (0.43) | CYP2C19ALDH1A1KDM4EUSP2HPGD | |
| SCHEMBL11439206 | 0.80 | FFAR1 (0.49) | CYP2C19ALDH1A1KDM4EUSP2HPGD | |
| SCHEMBL13854378 | 0.80 | MAOB (0.41) | CYP2C19ALDH1A1KDM4EUSP2HPGD | |
| SCHEMBL2379685 | 0.79 | ALDH1A1 (0.56) | ALDH1A1KDM4EUSP2MAOBAR | |
| SCHEMBL12151755 | 0.78 | AR (0.52) | PTPN1PTPN6PTPN11TAS2R14AR | |
| SCHEMBL29546917 | 0.78 | AR (0.52) | PTPN1PTPN6PTPN11TAS2R14AR | |
| SCHEMBL4595417 | 0.78 | MAOB (0.48) | ALDH1A1KDM4EMAOBARTSHR | |
| SCHEMBL24436827 | 0.78 | KDM4E (0.62) | CYP2C19ALDH1A1KDM4EUSP2HPGD | |
| SCHEMBL4981997 | 0.78 | KDM4E (0.62) | CYP2C19ALDH1A1KDM4EUSP2HPGD |
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-1945646-A1 | PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | Cellzome (UK) Ltd. (GB) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007039467-A1 | PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | CELLZOME (UK) LTD. (GB) | 2007-04-12 | — | — | WO | disclosed |