Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 3/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30107968 | 0.88 | IDH1 (0.35) | HTTALDH1A1POLBPDE2APDE10A | |
| SCHEMBL30107957 | 0.84 | HRH4 (0.32) | HRH4PDE10AKDM4E | |
| SCHEMBL30108038 | 0.76 | PIM1 (0.46) | HTTALDH1A1POLBHRH4SCN2A | |
| SCHEMBL30107951 | 0.72 | PTGS1 (0.46) | HTTALDH1A1POLBMEN1KMT2A | |
| SCHEMBL30108003 | 0.71 | MET (0.40) | ROCK1HTTALDH1A1POLBHRH4 | |
| SCHEMBL30108039 | 0.68 | ALDH1A1 (0.40) | ROCK1HTTALDH1A1POLBPDE2A | |
| SCHEMBL30107975 | 0.67 | L3MBTL1 (0.40) | HTTALDH1A1POLBPDE2APDE10A | |
| SCHEMBL30108036 | 0.65 | PIM1 (0.46) | HTTALDH1A1POLBPDE2APDE10A | |
| Hydrochloric Acid SCHEMBL29769980 | 0.65 | FGFR1 (0.57) | ALDH1A1SMN1; SMN2NPSR1LMNACYP3A4 | |
| Hydrochloric Acid SCHEMBL26907985 | 0.65 | FGFR1 (0.57) | ALDH1A1SMN1; SMN2NPSR1LMNACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022203399-A1 | ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF | 주식회사 스탠다임 | 2022-09-29 | — | — | WO | disclosed |