Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5021590 | 0.80 | PDPK1 (0.33) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL10910402 | 0.73 | KDM4E (0.32) | KDM4EATM | |
| SCHEMBL30199097 | 0.73 | CDK1 (0.34) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL2202795 | 0.73 | KDM4E (0.32) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL21496388 | 0.71 | MAPK1 (0.33) | MAPK1 | |
| SCHEMBL680853 | 0.70 | NPC1 (0.45) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL16178777 | 0.70 | — | — | |
| SCHEMBL10550609 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL4456673 | 0.69 | NPC1 (0.44) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL18654146 | 0.68 | ESR1 (0.45) | ALDH1A1KDM4EESR1CYP3A4ESR2 |
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-0181129-B1 | N6-SUBSTITUTED DEOXYRIBOSE ANALOGS OF ADENOSINES | WARNER-LAMBERT COMPANY (US) | 1989-03-08 | — | — | EP | disclosed |
| EP-0181129-A2 | N6-substituted deoxyribose analogs of adenosines | WARNER-LAMBERT COMPANY (US) | 1986-05-14 | — | — | EP | disclosed |