Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.33 |
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | CA9 | Q16790 | 4/20 | 0.33 |
| ▸ | APLNR | P35414 | 2/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.32 |
| ▸ | FEN1 | P39748 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24618587 | 0.77 | CA12 (0.31) | CA12CA1CA9 | |
| SCHEMBL31651631 | 0.75 | IDO1 (0.35) | — | |
| SCHEMBL31013220 | 0.75 | IDO1 (0.35) | — | |
| SCHEMBL25607621 | 0.73 | TACR1 (0.31) | APLNR | |
| SCHEMBL31631820 | 0.69 | — | — | |
| SCHEMBL15085977 | 0.69 | APLNR (0.45) | CA12CA1CA9APLNRALOX5AP | |
| SCHEMBL12492971 | 0.68 | CA12 (0.46) | CA12CA1CA9APLNRALOX5AP | |
| SCHEMBL13058585 | 0.67 | — | — | |
| SCHEMBL1205413 | 0.67 | — | — | |
| SCHEMBL845963 | 0.67 | — | — |
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-2022149167-A1 | DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST | BUGWORKS RESEARCH INDIA PVT LTD (IN) | 2022-07-14 | — | — | WO | disclosed |