Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 4/20 | 0.35 |
| ▸ | TLR2 | O60603 | 4/20 | 0.35 |
| ▸ | FBP1 | P09467 | 10/20 | 0.33 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.30 |
| ▸ | CCR6 | P51684 | 1/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24618696 | 0.81 | DUT (0.34) | — | |
| SCHEMBL29792058 | 0.78 | DUT (0.32) | — | |
| SCHEMBL24618695 | 0.78 | DUT (0.32) | — | |
| SCHEMBL25607674 | 0.78 | TLR4 (0.42) | TLR4TLR2FBP1PRMT1RXRA | |
| SCHEMBL29792003 | 0.76 | GRM5 (0.38) | TLR4TLR2FBP1PRMT1RXRA | |
| SCHEMBL29791987 | 0.72 | KCNH2 (0.40) | NPSR1 | |
| SCHEMBL25607618 | 0.71 | FBP1 (0.36) | TLR4TLR2FBP1HSP90AA1MAOA | |
| SCHEMBL24618395 | 0.71 | HRH1 (0.36) | NPSR1 | |
| SCHEMBL10005124 | 0.71 | HTR7 (0.36) | MAOAMAOB | |
| SCHEMBL14659292 | 0.70 | DUT (0.32) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115867553-A | Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists | 巴格沃克斯研究有限公司 | 2023-03-28 | — | — | CN | disclosed |
| EP-4121431-A1 | DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST | Bugworks Research, Inc. (US) | 2023-01-25 | — | — | EP | disclosed |
| 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 |