Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | DRD3 | P35462 | 4/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | HRH2 | P25021 | 2/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14424486 | 1.00 | CYP2C9 (0.57) | CYP2C9LMNASLC6A2SLC6A3CHRM1 | |
| SCHEMBL12463068 | 1.00 | CYP2C9 (0.57) | CYP2C9LMNASLC6A2SLC6A3CHRM1 | |
| SCHEMBL22631620 | 1.00 | CYP2C9 (0.57) | CYP2C9LMNASLC6A2SLC6A3CHRM1 | |
| SCHEMBL23100945 | 1.00 | CYP2C9 (0.57) | CYP2C9LMNASLC6A2SLC6A3CHRM1 | |
| SCHEMBL756764 | 1.00 | CYP2C9 (0.57) | CYP2C9LMNASLC6A2SLC6A3CHRM1 | |
| SCHEMBL23101821 | 1.00 | CYP2C9 (0.57) | CYP2C9LMNASLC6A2SLC6A3CHRM1 | |
| SCHEMBL736043 | 1.00 | CYP2C9 (0.57) | CYP2C9LMNASLC6A2SLC6A3CHRM1 | |
| SCHEMBL13243111 | 0.88 | LMNA (0.46) | CYP2C9LMNASLC6A2SLC6A3CHRM1 | |
| SCHEMBL16727365 | 0.88 | MAPK1 (0.46) | CYP2C9LMNASLC6A2SLC6A3CHRM1 | |
| SCHEMBL14310687 | 0.88 | MAPK1 (0.46) | CYP2C9LMNASLC6A2SLC6A3CHRM1 |
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 3 patents. 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 |
| EP-3733663-A1 | QUINAZOLINE DERIVATIVE AND USE THEREOF | Medshine Discovery Inc. (CN) | 2020-11-04 | — | — | EP | disclosed |
| US-9227971-B2 | Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-01-05 | — | — | US | disclosed |