Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.52 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.52 |
| ▸ | PDE2A | O00408 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | PNP | P00491 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | NT5E | P21589 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20333781 | 0.93 | ADORA3 (0.52) | ADORA3ADORA2AADORA1PDE4DPDE3A | |
| SCHEMBL20333786 | 0.86 | NT5E (0.55) | ADORA3ADORA2AADORA1CA1CA2 | |
| SCHEMBL20333753 | 0.83 | ADORA2A (0.58) | ADORA3ADORA2AADORA1PDE4DPDE3A | |
| SCHEMBL20333315 | 0.83 | ADORA3 (0.66) | ADORA3ADORA2AADORA1PDE4DPDE3A | |
| SCHEMBL19968646 | 0.81 | TYMP (0.46) | ADORA3ADORA1PDE2ANT5E | |
| SCHEMBL20769872 | 0.78 | ALDH1A1 (0.58) | ADORA3ADORA2AADORA1PDE4DPDE3A | |
| SCHEMBL20347290 | 0.78 | LMNA (0.38) | ADORA3ADORA2AADORA1PDE4DPDE3A | |
| SCHEMBL19961913 | 0.78 | LMNA (0.38) | ADORA3ADORA2AADORA1PDE4DPDE3A | |
| SCHEMBL30115171 | 0.78 | LMNA (0.38) | ADORA3ADORA2AADORA1PDE4DPDE3A | |
| SCHEMBL20347286 | 0.77 | TYMP (0.46) | ADORA3ADORA1PDE2ANT5E |
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-2018119284-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | CALITHERA BIOSCIENCES, INC. (US) | 2018-06-28 | — | — | WO | disclosed |