Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | CGAS | Q8N884 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL10771699 | 1.00 | EGFR (0.41) | EGFRACHEHTR2AHTR2CHTR2B | |
| SCHEMBL12856769 | 0.92 | KDM4E (0.38) | HTR2AHTR2CHTR2BKDM4EALDH1A1 | |
| SCHEMBL13422023 | 0.84 | KDM4E (0.37) | HTR2AHTR2CHTR2BKDM4EALDH1A1 | |
| SCHEMBL5926038 | 0.84 | KDM4E (0.37) | HTR2AHTR2CHTR2BKDM4EALDH1A1 | |
| SCHEMBL16067443 | 0.83 | POLB (0.40) | HTR2AHTR2CHTR2BKDM4EMAPT | |
| SCHEMBL7709742 | 0.83 | EGFR (0.37) | EGFRACHEHTR2AHTR2CHTR2B | |
| SCHEMBL23837196 | 0.80 | EGFR (0.35) | EGFRACHEHTR2AHTR2CHTR2B | |
| SCHEMBL12347418 | 0.80 | KDM4E (0.35) | HTR2AHTR2CHTR2BKDM4EALDH1A1 | |
| SCHEMBL29778202 | 0.80 | PDE3B (0.44) | HTR2AHTR2CHTR2BKDM4EALDH1A1 | |
| SCHEMBL20863884 | 0.80 | ALOX15 (0.47) | EGFRACHEHTR2AHTR2CHTR2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362331-B1 | PYRROLO(2,1-C)(1,4)BENZODIAZEPINE | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2002-03-26 | — | — | US | disclosed |