Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 1/20 | 0.51 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22172387 | 1.00 | ADORA2B (0.51) | ADORA2BPDE10ASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL24119096 | 0.84 | ADORA1 (0.55) | PIK3CDPIK3CAMTORMAPK14 | |
| SCHEMBL30209564 | 0.84 | ADORA1 (0.55) | PIK3CDPIK3CAMTORMAPK14 | |
| SCHEMBL22172329 | 0.83 | MAP4K4 (0.49) | ADORA2BPDE10AUSP2TSHRPIK3CD | |
| SCHEMBL30721834 | 0.83 | MAP4K4 (0.49) | ADORA2BPDE10AUSP2TSHRPIK3CD | |
| SCHEMBL22172355 | 0.82 | MAPK14 (0.40) | ADORA2BSMN1; SMN2KDM4ENPC1HCRTR1 | |
| SCHEMBL30721862 | 0.82 | MAPK14 (0.40) | ADORA2BSMN1; SMN2KDM4ENPC1HCRTR1 | |
| SCHEMBL22163939 | 0.80 | TGFBR1 (0.43) | SMN1; SMN2KDM4ENPC1HCRTR1USP2 | |
| SCHEMBL22163842 | 0.79 | DHODH (0.39) | PDE10ASMN1; SMN2KDM4ENPC1HCRTR1 | |
| SCHEMBL22163841 | 0.79 | DHODH (0.40) | PDE10ASMN1; SMN2KDM4ENPC1HCRTR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113166119-B | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-05 | — | — | CN | disclosed |