Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | CDK1 | P06493 | 4/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.35 |
| ▸ | CDK2 | P24941 | 4/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | VCP | P55072 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9019771 | 0.88 | CDK1 (0.40) | ADORA2ACDK1CCNB1CDK2TLR7 | |
| SCHEMBL9019801 | 0.88 | TLR7 (0.36) | ADORA2ACDK1CCNB1CDK2TLR7 | |
| SCHEMBL9019778 | 0.87 | TLR7 (0.39) | TLR7 | |
| SCHEMBL9019744 | 0.81 | ALDH1A1 (0.32) | MEN1ALDH1A1LMNACYP3A4NFKB1 | |
| SCHEMBL9019742 | 0.81 | ACHE (0.33) | MEN1ALDH1A1LMNACYP3A4NFKB1 | |
| SCHEMBL9019822 | 0.79 | MEN1 (0.48) | MEN1ALDH1A1LMNACYP3A4NFKB1 | |
| SCHEMBL9019773 | 0.74 | PDE3A (0.39) | MEN1ALDH1A1LMNACYP3A4NFKB1 | |
| SCHEMBL3478590 | 0.74 | ADORA2A (0.62) | ADORA2ACDK1CCNB1CDK2CCNE1 | |
| Rociclovir SCHEMBL1228859 | 0.73 | ALDH1A1 (0.49) | CDK1CCNB1CDK2CCNE1MEN1 | |
| Rociclovir SCHEMBL29573658 | 0.73 | ALDH1A1 (0.49) | CDK1CCNB1CDK2CCNE1MEN1 |
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-0452680-B1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AG (DE) | 1996-11-06 | — | — | EP | disclosed |
| EP-0452680-A1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-23 | — | — | EP | disclosed |