Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 7/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5049782 | 0.88 | HSD17B10 (0.46) | HPGDKDM4EALDH1A1NPSR1HSD17B10 | |
| SCHEMBL5036063 | 0.85 | KIF18A (0.49) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL5041449 | 0.85 | KIF18A (0.46) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL5039113 | 0.85 | HPGD (0.42) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL5039198 | 0.84 | CA2 (0.48) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL5041442 | 0.84 | KDM4E (0.45) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL5035039 | 0.82 | SMN1; SMN2 (0.41) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL5035035 | 0.82 | MAPK1 (0.55) | HPGDKDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL5041459 | 0.80 | HPGD (0.42) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL5034981 | 0.79 | KDM4E (0.45) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 |
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-1761541-B1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-09 | — | — | EP | claimed |