Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 4/20 | 0.50 |
| ▸ | CASP6 | P55212 | 4/20 | 0.40 |
| ▸ | NSD2 | O96028 | 2/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 3/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2472818 | 0.84 | NT5E (0.54) | NT5ECASP6NSD2DUSP3PTPN5 | |
| SCHEMBL7585412 | 0.82 | ALDH1A1 (0.50) | NT5ECASP6NSD2DUSP3PTPN5 | |
| SCHEMBL1964395 | 0.78 | CYP2D6 (0.44) | ALDH1A1HSD17B10CYP2C9CYP2C19RAPGEF4 | |
| SCHEMBL2152539 | 0.74 | CASP6 (0.54) | NT5ECASP6NSD2DUSP3PTPN5 | |
| SCHEMBL6559611 | 0.70 | NT5E (0.57) | NT5ECASP6NSD2DUSP3PTPN5 | |
| SCHEMBL9334347 | 0.69 | NT5E (0.56) | NT5ECASP6NSD2DUSP3PTPN5 | |
| SCHEMBL7898223 | 0.69 | TTR (0.46) | NSD2DUSP3ALDH1A1HSD17B10TDP1 | |
| SCHEMBL342572 | 0.68 | CTDSP1 (0.55) | NT5ECASP6NSD2DUSP3PTPN5 | |
| SCHEMBL9066446 | 0.68 | NT5E (0.58) | NT5ECASP6NSD2DUSP3PTPN5 | |
| SCHEMBL151762 | 0.68 | NT5E (0.73) | NT5ECASP6NSD2DUSP3PTPN5 |
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-2002018922-A2 | HIGH-THROUGHPUT METHOD FOR DETERMINING THE ENANTIOMERIC PURITY OF CHIRAL COMPOUNDS | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2002-03-07 | — | — | WO | disclosed |