Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.39 |
| ▸ | SRC | P12931 | 3/20 | 0.37 |
| ▸ | SYK | P43405 | 3/20 | 0.37 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | ZAP70 | P43403 | 2/20 | 0.37 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16482191 | 0.79 | ADORA2A (0.41) | ADORA3ADORA2AADORA1PDE10ASRC | |
| SCHEMBL21241203 | 0.78 | PDE10A (0.40) | ADORA2AADORA1PDE10ASRCSYK | |
| SCHEMBL9909953 | 0.71 | ALDH1A1 (0.51) | ADORA1HSF1HSP90AA1NPC1RECQL | |
| SCHEMBL13541623 | 0.70 | ADORA3 (0.43) | ADORA3ADORA2AADORA1PDE10ASRC | |
| SCHEMBL10330269 | 0.69 | HTR2C (0.50) | ADORA2AADORA1HSP90AA1NPC1PKM | |
| SCHEMBL16463680 | 0.69 | STIM1 (0.43) | ADORA3ADORA2AADORA1SYKNPC1 | |
| SCHEMBL5292301 | 0.66 | AURKA (0.48) | NPC1RAB9AHPGD | |
| SCHEMBL23399117 | 0.65 | — | — | |
| SCHEMBL22951305 | 0.65 | STIM1 (0.37) | ADORA2AADORA1PDE10ASRCSYK | |
| SCHEMBL2020938 | 0.64 | — | — |
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-2022234271-A1 | HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 2022-11-10 | — | — | WO | disclosed |