Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.79 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 5/20 | 0.40 |
| ▸ | CDK1 | P06493 | 3/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CDK7 | P50613 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | CCNH | P51946 | 1/20 | 0.40 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.38 |
| ▸ | MGMT | P16455 | 3/20 | 0.36 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | PNP | P00491 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 2/20 | 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 | |
|---|---|---|---|---|
| 2-Aminopurine SCHEMBL5634 | 0.89 | ALDH1A1 (1.00) | ALDH1A1RXFP1KDM4EDPP4PDPK1 | |
| 2-Aminopurine SCHEMBL29056388 | 0.87 | ALDH1A1 (0.96) | ALDH1A1RXFP1KDM4EDPP4PDPK1 | |
| 2-Aminopurine SCHEMBL28208518 | 0.87 | ALDH1A1 (0.96) | ALDH1A1RXFP1KDM4EDPP4PDPK1 | |
| 2-Aminopurine SCHEMBL3144589 | 0.87 | ALDH1A1 (0.96) | ALDH1A1RXFP1KDM4EDPP4PDPK1 | |
| 2-Aminopurine SCHEMBL357699 | 0.87 | ALDH1A1 (0.96) | ALDH1A1RXFP1KDM4EDPP4PDPK1 | |
| 2-Aminopurine SCHEMBL31379734 | 0.87 | ALDH1A1 (0.96) | ALDH1A1RXFP1KDM4EDPP4PDPK1 | |
| 2-Aminopurine SCHEMBL28075430 | 0.87 | ALDH1A1 (0.96) | ALDH1A1RXFP1KDM4EDPP4PDPK1 | |
| 2-Aminopurine SCHEMBL383844 | 0.86 | ALDH1A1 (0.79) | ALDH1A1RXFP1KDM4EDPP4PDPK1 | |
| 2-Aminopurine SCHEMBL20305132 | 0.86 | ALDH1A1 (0.79) | ALDH1A1RXFP1KDM4EDPP4PDPK1 | |
| 2-Aminopurine SCHEMBL6056061 | 0.85 | ALDH1A1 (0.92) | ALDH1A1RXFP1KDM4EDPP4PDPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5877166-A | HERPES VIRUS | SRI INTERNATIONAL (US) | 1999-03-02 | — | — | US | disclosed |
| WO-1997041133-A1 | ENANTIOMERICALLY PURE 2-AMINOPURINE PHOSPHONATE NUCLEOTIDE ANALOGS AS ANTIVIRAL AGENTS | SRI INTERNATIONAL (US) | 1997-11-06 | — | — | WO | disclosed |