Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7703994 | 1.00 | EGFR (0.37) | EGFRHTR2AHTR2CHTR2BACHE | |
| SCHEMBL7709738 | 0.83 | EGFR (0.41) | EGFRHTR2AHTR2CHTR2BACHE | |
| SCHEMBL10771699 | 0.83 | EGFR (0.41) | EGFRHTR2AHTR2CHTR2BACHE | |
| SCHEMBL23837196 | 0.75 | EGFR (0.35) | EGFRHTR2AHTR2CHTR2BACHE | |
| SCHEMBL7712358 | 0.75 | ALOX15 (0.47) | EGFRHTR2AHTR2CHTR2BACHE | |
| SCHEMBL20863884 | 0.75 | ALOX15 (0.47) | EGFRHTR2AHTR2CHTR2BACHE | |
| SCHEMBL18929350 | 0.75 | EGFR (0.42) | EGFRHTR2AHTR2CHTR2BACHE | |
| SCHEMBL12856869 | 0.75 | HTR2A (0.34) | HTR2AHTR2CHTR2BALDH1A1KDM4E | |
| SCHEMBL12856769 | 0.74 | KDM4E (0.38) | HTR2AHTR2CHTR2BALDH1A1L3MBTL1 | |
| SCHEMBL20975292 | 0.74 | ALOX15 (0.44) | EGFRHTR2AHTR2CHTR2BACHE |
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 |