Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.46 |
| ▸ | PDE2A | O00408 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | NT5E | P21589 | 11/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CD99 | P14209 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22807212 | 1.00 | ADORA2A (0.46) | ADORA2APDE2AADORA3ADORA1ADRA1A | |
| SCHEMBL21291968 | 0.86 | PDE2A (0.64) | ADORA2APDE2AADORA3ADORA1ADRA1A | |
| SCHEMBL22807146 | 0.86 | NT5E (0.46) | PDE2ANT5E | |
| SCHEMBL29489846 | 0.86 | NT5E (0.46) | PDE2ANT5E | |
| SCHEMBL22807145 | 0.86 | NT5E (0.46) | PDE2ANT5E | |
| SCHEMBL19948567 | 0.85 | NT5E (0.52) | NT5ELMNATP53ALDH1A1MAPT | |
| SCHEMBL20305395 | 0.83 | PDE2A (0.47) | ADORA2APDE2AADORA3ADORA1ADRA1A | |
| SCHEMBL20305394 | 0.83 | PDE2A (0.47) | ADORA2APDE2AADORA3ADORA1ADRA1A | |
| SCHEMBL19948197 | 0.83 | NT5E (0.55) | ADORA2APDE2AADORA3ADORA1ADRA1A | |
| SCHEMBL30262559 | 0.83 | PDE2A (0.47) | ADORA2APDE2AADORA3ADORA1ADRA1A |
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-3986894-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | Calithera Biosciences, Inc. (US) | 2022-04-27 | — | — | EP | disclosed |
| CN-114008048-A | Exonucleotidase inhibitors and methods of use thereof | 卡利泰拉生物科技公司 | 2022-02-01 | — | — | CN | disclosed |
| WO-2020257429-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | CALITHERA BIOSCIENCES, INC. (US) | 2020-12-24 | — | — | WO | disclosed |