Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 3/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | MET | P08581 | 4/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6352883 | 0.80 | HTR3A (1.00) | HTR3AKDM4EMAPTALDH1A1MET | |
| SCHEMBL25691399 | 0.80 | HTR3A (0.63) | HTR3AKDM4EGAAKMT2AMET | |
| SCHEMBL25675772 | 0.80 | HTR3A (0.63) | HTR3AKDM4EGAAKMT2AMET | |
| SCHEMBL20784267 | 0.78 | HTR3A (0.69) | HTR3AKDM4EADRA2CGAAMAPT | |
| SCHEMBL22742654 | 0.77 | HTR3A (0.59) | HTR3AKDM4EADRA2CGAAKMT2A | |
| SCHEMBL29190695 | 0.77 | HRH4 (0.70) | HTR3AGAAMAPTALDH1A1MET | |
| SCHEMBL30833763 | 0.77 | HRH4 (0.66) | HTR3AGAAMAPTALDH1A1MET | |
| SCHEMBL29190636 | 0.77 | HRH4 (0.66) | HTR3AGAAMAPTALDH1A1MET | |
| SCHEMBL6348984 | 0.75 | HTR3A (0.89) | HTR3AKDM4EMAPTALDH1A1MET | |
| SCHEMBL15257660 | 0.75 | HTR3A (0.68) | HTR3AKDM4EGAAKMT2AALDH1A1 |
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-3604306-A1 | MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai de Novo Pharmatech Co., Ltd. (CN) | 2020-02-05 | — | — | EP | disclosed |
| WO-2019037678-A1 | PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 上海迪诺医药科技有限公司 | 2019-02-28 | — | — | WO | disclosed |