Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | KDM4B | O94953 | 1/20 | 0.37 |
| ▸ | KDM5C | P41229 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.37 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Purine SCHEMBL3157 | 0.98 | — | — | |
| Purine SCHEMBL2120547 | 0.98 | KDM4A (0.38) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| Purine SCHEMBL29456595 | 0.98 | — | — | |
| Purine SCHEMBL6421376 | 0.98 | KDM4A (0.38) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| Purine SCHEMBL311318 | 0.95 | KDM4A (0.37) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| Purine SCHEMBL6438162 | 0.95 | KDM4A (0.37) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| Purine SCHEMBL5611476 | 0.95 | KDM4A (0.37) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| Purine SCHEMBL37119 | 0.95 | KDM4A (0.37) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| Purine SCHEMBL7787135 | 0.95 | KDM4A (0.37) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| Purine SCHEMBL1150716 | 0.95 | KDM4A (0.37) | KDM4AKDM4BKDM5CKDM4CKDM5B |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118355914-A | Use of purine compounds for controlling pathogenic microorganisms | 兰州大学 | 2024-07-19 | — | — | CN | disclosed |
| US-20070207512-A1 | STRUCTURE-BASED DRUG DESIGN METHODS FOR IDENTIFYING D-ALA-D-ALA LIGASE INHIBITORS AS ANTIBACTERIAL DRUGS | PLIVA D.D. (HR) | 2007-09-06 | — | — | US | disclosed |
| CN-1268765-C | Structure-based drug design methods for idenfitying D-ALA-D-ALA ligase inhibitors as antibacterial drugs | ESSENTIAL THERAPEUTICS INC (US) | 2006-08-09 | — | — | CN | disclosed |
| CN-1539020-A | Structure-based drug design methods for idenfitying D-ALA-D-ALA ligase inhibitors as antibacterial drugs | ��������ҽѧ����˾ | 2004-10-20 | — | — | CN | disclosed |
| EP-1412516-A4 | STRUCTURE-BASED DRUG DESIGN METHODS FOR IDENTIFYING D-ALA-D-ALA LIGASE INHIBITORS AS ANTIBACTERIAL DRUGS | ESSENTIAL THERAPEUTICS INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1412516-A2 | STRUCTURE-BASED DRUG DESIGN METHODS FOR IDENTIFYING D-ALA-D-ALA LIGASE INHIBITORS AS ANTIBACTERIAL DRUGS | Essential Therapeutics, Inc. (US) | 2004-04-28 | — | — | EP | disclosed |
| US-20030119061-A1 | Structure-based drug design methods for identifying D-Ala-D-Ala ligase inhibitors as antibacterial drugs | ESSENTIAL THERAPEUTICS, INC. | 2003-06-26 | — | — | US | disclosed |
| WO-2003002063-A2 | STRUCTURE-BASED DRUG DESIGN METHODS FOR IDENTIFYING D-ALA-D-ALA LIGASE INHIBITORS AS ANTIBACTERIAL DRUGS | ESSENTIAL THERAPEUTICS, INC. (US) | 2003-01-09 | — | — | WO | disclosed |