Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | GLA | P06280 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3255411 | 1.00 | KDM4E (0.47) | KDM4EGLANPSR1RXFP1CYP11B2 | |
| SCHEMBL29992603 | 0.85 | CYP11B2 (0.41) | KDM4EGLANPSR1RXFP1CYP11B2 | |
| SCHEMBL1423554 | 0.83 | SQOR (0.46) | KDM4EHTTSQORALDH1A1MAPK14 | |
| SCHEMBL16428785 | 0.81 | MAOA (0.47) | KDM4ENPSR1POLBSQORALDH1A1 | |
| SCHEMBL2146568 | 0.80 | NISCH (0.49) | KDM4EGLACYP11B2MAPK1HTT | |
| SCHEMBL30630392 | 0.79 | ESR2 (0.55) | KDM4EGLACYP11B2ALDH1A1CYP11B1 | |
| SCHEMBL31264147 | 0.79 | ESR2 (0.55) | KDM4EGLACYP11B2ALDH1A1CYP11B1 | |
| SCHEMBL14856915 | 0.79 | ESR2 (0.55) | KDM4EGLACYP11B2ALDH1A1CYP11B1 | |
| SCHEMBL23931114 | 0.79 | MKNK1 (0.45) | CYP11B2ALDH1A1SMN1; SMN2CYP11B1CYP19A1 | |
| SCHEMBL28721464 | 0.78 | KDM4E (0.50) | KDM4EGLANPSR1RXFP1CYP11B2 |
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-116981669-A | Pyrimidine or pyrido heterocyclic adenosine receptor inhibitor, preparation method and application thereof | 上海齐鲁制药研究中心有限公司 | 2023-10-31 | — | — | CN | disclosed |