Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18502846 | 1.00 | LMNA (0.50) | LMNACYP2C9SLC6A2CHRM1SLC6A4 | |
| SCHEMBL1573740 | 1.00 | LMNA (0.50) | LMNACYP2C9SLC6A2CHRM1SLC6A4 | |
| SCHEMBL1573739 | 1.00 | LMNA (0.50) | LMNACYP2C9SLC6A2CHRM1SLC6A4 | |
| SCHEMBL3582332 | 0.90 | HTR3E (0.46) | LMNACYP2C9SLC6A2CHRM1SLC6A4 | |
| SCHEMBL9381779 | 0.90 | HTR3E (0.46) | LMNACYP2C9SLC6A2CHRM1SLC6A4 | |
| SCHEMBL13778750 | 0.86 | LMNA (0.40) | LMNACYP2C9SLC6A2CHRM1SLC6A4 | |
| SCHEMBL15444631 | 0.80 | HTR3A (0.34) | LMNACYP2C9HTR3A | |
| SCHEMBL20715143 | 0.80 | LMNA (0.46) | LMNACYP2C9SLC6A2CHRM1SLC6A4 | |
| SCHEMBL3408333 | 0.79 | MEN1 (0.38) | MEN1KMT2A | |
| SCHEMBL3411137 | 0.78 | HTR4 (0.31) | LMNACYP2C9HTR4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3733663-B1 | 1-[6-[[4-(PHENYLAMINO)-6-QUINAZOLINYL]OXY]-3-AZABICYCLO[3.1.1]HEPT-3-YL]-2-PROPEN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS IRREVERSIBLE INHIBITORS OF PAN-HER TYROSINE KINASE FOR THE TREATMENT OF CANCER | CHENGDU JINRUI FOUND BIOTECH CO LTD (CN) | 2023-05-17 | — | — | EP | disclosed |