Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.64 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.64 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.64 |
| ▸ | PDE2A | O00408 | 3/20 | 0.64 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.64 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.64 |
| ▸ | NT5E | P21589 | 3/20 | 0.62 |
| ▸ | PNP | P00491 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.59 |
| ▸ | CD99 | P14209 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10060179 | 1.00 | ADORA3 (0.64) | ADORA3ADORA2AADORA1PDE2APDE4D | |
| SCHEMBL13770329 | 0.90 | NT5E (0.61) | ADORA3ADORA2AADORA1PDE2APDE4D | |
| SCHEMBL20347280 | 0.89 | NT5E (0.60) | ADORA3ADORA2AADORA1PDE2APDE4D | |
| SCHEMBL8620311 | 0.89 | AHCY (0.54) | ADORA3ADORA2AADORA1PDE2APDE4D | |
| SCHEMBL13873163 | 0.89 | AHCY (0.54) | ADORA3ADORA2AADORA1PDE2APDE4D | |
| SCHEMBL13713932 | 0.89 | AHCY (0.54) | ADORA3ADORA2AADORA1PDE2APDE4D | |
| SCHEMBL8620317 | 0.89 | AHCY (0.54) | ADORA3ADORA2AADORA1PDE2APDE4D | |
| SCHEMBL13890093 | 0.89 | AHCY (0.54) | ADORA3ADORA2AADORA1PDE2APDE4D | |
| SCHEMBL3436979 | 0.88 | PDE4D (0.66) | ADORA3ADORA2AADORA1PDE2APDE4D | |
| SCHEMBL19959557 | 0.88 | PDE4D (0.66) | ADORA3ADORA2AADORA1PDE2APDE4D |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0314011-A2 | Purine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-03 | — | — | EP | claimed |
| JP-1149797-A | — | — | None | — | — | JP | disclosed |
| EP-3947408-B1 | SALT OF TRIPHOSPHATE PHOSPHORAMIDATES OF NUCLEOTIDES AS ANTICANCER COMPOUNDS | NuCana plc (GB) | 2023-06-07 | — | — | EP | disclosed |
| WO-2020201751-A1 | SALT OF TRIPHOSPHATE PHOSPHORAMIDATES OF NUCLEOTIDES AS ANTICANCER COMPOUNDS | NuCana plc (GB) | 2020-10-08 | — | — | WO | disclosed |
| WO-2018119284-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | CALITHERA BIOSCIENCES, INC. (US) | 2018-06-28 | — | — | WO | disclosed |
| WO-2018049145-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | CALITHERA BIOSCIENCES, INC. (US) | 2018-03-15 | — | — | WO | disclosed |
| WO-2017133517-A1 | PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF | 四川海思科制药有限公司 | 2017-08-10 | — | — | WO | disclosed |
| US-6884880-B2 | Process for the preparation of 9-β-anomeric nucleoside analogs | ASH STEVENS, INC. (US) | 2005-04-26 | — | — | US | disclosed |
| JP-H01149797-A | PURINE DERIVATIVE | F HOFFMANN LA ROCHE AG | 1989-06-12 | — | — | JP | disclosed |
| EP-0314011-A2 | Purine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-03 | — | — | EP | disclosed |