Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.54 |
| ▸ | TMIGD3 | P0DMS9 | 4/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.54 |
| ▸ | CDK1 | P06493 | 5/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 4/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.50 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | THPO | P40225 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL27430176 | 0.90 | CDK1 (0.63) | ADORA2AADORA1TMIGD3CDK1CCNB2 | |
| SCHEMBL24722333 | 0.81 | CCNB2 (0.41) | ADORA2AADORA1CDK1CCNB2CCNB1 | |
| SCHEMBL22214990 | 0.77 | CDK1 (0.55) | ADORA2AADORA1TMIGD3CDK1CCNB2 | |
| SCHEMBL20008058 | 0.77 | CDK1 (0.55) | ADORA2AADORA1TMIGD3CDK1CCNB2 | |
| SCHEMBL21450235 | 0.76 | NT5E (0.54) | ADORA2AADORA1TMIGD3CDK1CCNB2 | |
| SCHEMBL21540715 | 0.74 | FDPS (0.39) | ADORA2AADORA1ADORA2BCDK1CCNB2 | |
| SCHEMBL24220583 | 0.74 | ADORA1 (0.51) | ADORA2AADORA1ADORA3NFKB1THPO | |
| SCHEMBL19370351 | 0.72 | NT5E (0.50) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL23046742 | 0.72 | CCNB2 (0.39) | ADORA2AADORA1CDK1CCNB2CCNB1 | |
| SCHEMBL20857311 | 0.72 | CCNB2 (0.39) | ADORA2AADORA1CDK1CCNB2CCNB1 |
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-2023091791-A1 | METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS | ASTROCYTE PHARMACEUTICALS, INC. (US) | 2023-05-25 | — | — | WO | disclosed |