Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLCG1 | P19174 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL167824 | 1.00 | PLCG1 (0.41) | PLCG1GRM5CYP11B1LRRK2HPGD | |
| SCHEMBL29533314 | 0.85 | LRRK2 (0.46) | PLCG1CYP11B1LRRK2HPGDALDH1A1 | |
| SCHEMBL981103 | 0.85 | GRM5 (0.50) | PLCG1GRM5ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL18611 | 0.85 | LRRK2 (0.46) | PLCG1CYP11B1LRRK2HPGDALDH1A1 | |
| SCHEMBL2581738 | 0.84 | ELANE (0.37) | PLCG1GRM5CYP11B1ELANEKDM4E | |
| SCHEMBL12754871 | 0.83 | GRM5 (0.46) | PLCG1GRM5CYP11B1LRRK2HPGD | |
| SCHEMBL3248902 | 0.79 | PLCG1 (0.41) | PLCG1CYP11B1LRRK2HPGDALDH1A1 | |
| Cyclohexane SCHEMBL507539 | 0.79 | GRM5 (0.43) | PLCG1GRM5LRRK2HPGDALDH1A1 | |
| Pyrrole SCHEMBL28114401 | 0.75 | LRRK2 (0.42) | PLCG1CYP11B1LRRK2HPGDALDH1A1 | |
| SCHEMBL1477362 | 0.74 | CLK4 (0.41) | GRM5CYP11B1LRRK2HPGDALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |