Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.51 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.45 |
| ▸ | RAD52 | P43351 | 1/20 | 0.45 |
| ▸ | PHGDH | O43175 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.43 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.43 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23657292 | 0.89 | ADRB1 (0.58) | ADRB1HTR3ADRD2NPC1RAB9A | |
| SCHEMBL13928098 | 0.85 | ADRB1 (0.55) | ADRB1FFAR4HTR3APHGDHNPC1 | |
| SCHEMBL12359403 | 0.82 | MAPT (0.54) | HTR3AHTR1ANPC1RAB9AADRA2C | |
| SCHEMBL17144207 | 0.82 | ADRB1 (0.56) | ADRB1HTR3AKDM4EALDH1A1GFER | |
| SCHEMBL23657169 | 0.81 | ADRB1 (0.50) | ADRB1FFAR4HTR3ADRD2NPC1 | |
| SCHEMBL23657300 | 0.81 | ADRB1 (0.50) | ADRB1HTR3ADRD2NPC1RAB9A | |
| SCHEMBL10127523 | 0.81 | ADRA2C (0.59) | ADRB1HTR3ARAD52NPC1RAB9A | |
| SCHEMBL2873315 | 0.81 | ADRB1 (0.80) | ADRB1HTR3AHTR1ATGFBR1ACVR1 | |
| SCHEMBL14032316 | 0.81 | PRKDC (0.52) | ADRB1FFAR4NPC1RAB9AKDM4E | |
| SCHEMBL10104342 | 0.80 | FFAR4 (0.51) | FFAR4HTR3APHGDHNPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4169919-A1 | PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR | Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) | 2023-04-26 | — | — | EP | disclosed |
| WO-2021254389-A1 | PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR | 微境生物医药科技(上海)有限公司 | 2021-12-23 | — | — | WO | disclosed |