Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23123822 | 1.00 | KDM1A (0.41) | KDM1AADRA1DADRA1AADRA1BBRD4 | |
| SCHEMBL23123988 | 0.75 | ADRA1A (0.41) | KDM1AADRA1DADRA1AADRA1BAR | |
| SCHEMBL29789642 | 0.75 | ADRA1A (0.41) | KDM1AADRA1DADRA1AADRA1BAR | |
| SCHEMBL29789713 | 0.72 | AR (0.41) | AR | |
| SCHEMBL23123752 | 0.72 | AR (0.41) | AR | |
| SCHEMBL23123492 | 0.70 | BRD4 (0.38) | KDM1AADRA1DADRA1AADRA1BBRD4 | |
| SCHEMBL29789762 | 0.70 | BRD4 (0.38) | KDM1AADRA1DADRA1AADRA1BBRD4 | |
| SCHEMBL24700460 | 0.69 | DRD2 (0.44) | KDM1AKDM4EHSD17B10L3MBTL1 | |
| SCHEMBL6911325 | 0.65 | HSD11B1 (0.47) | ADRA1DADRA1AADRA1BBRD4HTR2C | |
| Hydrochloric Acid SCHEMBL4345829 | 0.65 | BRD4 (0.57) | ADRA1DADRA1AADRA1BBRD4HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| CN-114901652-A | Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders | 比亚尔R&D投资股份公司 | 2022-08-12 | — | — | CN | disclosed |
| EP-4031540-A1 | SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | Bial-R&D Investments, S.A. (PT) | 2022-07-27 | — | — | EP | disclosed |