Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F12 | P00748 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.32 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.31 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL25035751 | 0.85 | F12 (0.35) | F12GRM5DHODHADORA2AADORA1 | |
| SCHEMBL29155052 | 0.84 | ADORA3 (0.43) | MAPTKDM4EALDH1A1NPC1LMNA | |
| SCHEMBL25035782 | 0.82 | CYP1A2 (0.39) | MAPTCYP1A2HIF1AKDM4EALDH1A1 | |
| SCHEMBL19207066 | 0.74 | HCRTR1 (0.43) | MAPTGRM5KDM4EALDH1A1DHODH | |
| SCHEMBL21753512 | 0.72 | KMT2A (0.39) | KDM4EALDH1A1HPGDHSD17B10ADORA2A | |
| SCHEMBL29155062 | 0.71 | ADORA3 (0.46) | MAPTCYP1A2KDM4EALDH1A1NPC1 | |
| SCHEMBL1431280 | 0.69 | ADORA2A (0.39) | KDM4EALDH1A1RAB9AHSD17B10ADORA2A | |
| SCHEMBL19207070 | 0.67 | HCRTR1 (0.42) | MAPTGRM5KDM4EALDH1A1NPC1 | |
| SCHEMBL29155065 | 0.67 | KDM4E (0.48) | MAPTKDM4EALDH1A1NPC1LMNA | |
| SCHEMBL19207053 | 0.66 | HCRTR1 (0.41) | MAPTCYP1A2KDM4EALDH1A1NPC1 |
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-117561260-A | Heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-02-13 | — | — | CN | disclosed |
| WO-2023016296-A1 | HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2023-02-16 | — | — | WO | disclosed |