Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | MLLT3 | P42568 | 1/20 | 0.40 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.40 |
| ▸ | ACR | P10323 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23041456 | 0.94 | ADORA3 (0.47) | ADORA3ADORA2AADORA2BADORA1MAPK8 | |
| SCHEMBL29452455 | 0.91 | ADORA3 (0.43) | ADORA3ADORA2AADORA2BADORA1MAPK8 | |
| SCHEMBL23041465 | 0.91 | ADORA3 (0.43) | ADORA3ADORA2AADORA2BADORA1MAPK8 | |
| SCHEMBL23041464 | 0.91 | ADORA3 (0.43) | ADORA3ADORA2AADORA2BADORA1MAPK8 | |
| SCHEMBL23042058 | 0.89 | ADORA3 (0.42) | ADORA3ADORA2AADORA2BADORA1MAPK8 | |
| SCHEMBL23042057 | 0.89 | ADORA3 (0.42) | ADORA3ADORA2AADORA2BADORA1MAPK8 | |
| SCHEMBL29452430 | 0.89 | ADORA3 (0.42) | ADORA3ADORA2AADORA2BADORA1MAPK8 | |
| SCHEMBL23041657 | 0.89 | ADORA3 (0.42) | ADORA3ADORA2AADORA2BADORA1MAPK8 | |
| SCHEMBL23041661 | 0.89 | ADORA3 (0.42) | ADORA3ADORA2AADORA2BADORA1MAPK8 | |
| SCHEMBL29452338 | 0.89 | ADORA3 (0.42) | ADORA3ADORA2AADORA2BADORA1MAPK8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4021572-A1 | SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | Novartis AG (CH) | 2022-07-06 | — | — | EP | disclosed |
| CN-114341132-A | Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases | 诺华股份有限公司 | 2022-04-12 | — | — | CN | disclosed |
| WO-2021038426-A1 | SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2021-03-04 | — | — | WO | disclosed |