Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.36 |
| ▸ | TSHR | P16473 | 7/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 6/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28340215 | 0.76 | FDPS (0.44) | FDPSHDAC1HDAC6LTA4HCYP1A2 | |
| SCHEMBL27992403 | 0.74 | FDPS (0.42) | FDPSHDAC1HDAC6LTA4HCYP1A2 | |
| SCHEMBL27689438 | 0.74 | FDPS (0.42) | FDPSHDAC1HDAC6LTA4HCYP1A2 | |
| SCHEMBL30341176 | 0.74 | GRM5 (0.46) | FDPSHDAC1HDAC6LTA4HCYP1A2 | |
| SCHEMBL256372 | 0.74 | GRM5 (0.46) | FDPSHDAC1HDAC6LTA4HCYP1A2 | |
| SCHEMBL28763050 | 0.74 | FDPS (0.46) | FDPSHDAC1HDAC6LTA4HCYP1A2 | |
| SCHEMBL28779724 | 0.74 | FDPS (0.42) | FDPSHDAC1HDAC6LTA4HCYP1A2 | |
| SCHEMBL840562 | 0.74 | FDPS (0.46) | FDPSHDAC1HDAC6LTA4HCYP1A2 | |
| SCHEMBL5633 | 0.74 | FDPS (0.42) | FDPSHDAC1HDAC6LTA4HCYP1A2 | |
| SCHEMBL7787139 | 0.74 | FDPS (0.42) | FDPSHDAC1HDAC6LTA4HCYP1A2 |
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 |