Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 4/20 | 0.35 |
| ▸ | HTR2B | P41595 | 4/20 | 0.35 |
| ▸ | HTR5A | P47898 | 2/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.34 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28115423 | 0.89 | PARP1 (0.36) | HTR2CHTR2BHTR5ASRD5A1HTR2A | |
| SCHEMBL13496703 | 0.83 | HTR5A (0.36) | HTR5AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL27760050 | 0.81 | BRD4 (0.36) | ESR1ESR2SRD5A1ADRA2AADRA2B | |
| SCHEMBL27791463 | 0.81 | ESR1 (0.56) | ESR1ESR2DRD2DRD3OPRK1 | |
| SCHEMBL27480490 | 0.81 | CA9 (0.36) | ESR1ESR2MAPTKMT2A | |
| SCHEMBL12012738 | 0.77 | KIF11 (0.35) | ESR1ESR2HTR2CHTR2BSRD5A1 | |
| SCHEMBL28292212 | 0.77 | KIF11 (0.35) | ESR1ESR2ALDH1A1HTTMAPT | |
| SCHEMBL1550271 | 0.76 | MTNR1A (0.42) | HTR1AHTR2ADRD3NPC1MAPT | |
| SCHEMBL30929595 | 0.76 | MTNR1A (0.42) | HTR1AHTR2ADRD3NPC1MAPT | |
| SCHEMBL27799204 | 0.76 | SIRT2 (0.45) | ADRA2AADRA2BADRA2CALDH1A1SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114026090-B | Compound for inhibiting EGFR kinase and preparation method and application thereof | 微境生物医药科技(上海)有限公司 | 2023-01-06 | — | — | CN | disclosed |
| CN-114026090-A | Compound for inhibiting EGFR kinase and preparation method and application thereof | 微境生物医药科技(上海)有限公司 | 2022-02-08 | — | — | CN | disclosed |
| CN-112174961-A | Compound for inhibiting EGFR kinase and preparation method and application thereof | 微境生物医药科技(上海)有限公司 | 2021-01-05 | — | — | CN | disclosed |
| CN-103814021-B | Dihydroquinoline 2 ketone derivatives | 霍夫曼-拉罗奇有限公司 | 2016-12-21 | — | — | CN | disclosed |