Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PMM2 | O15305 | 1/20 | 0.38 |
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29100461 | 0.85 | MAPT (0.52) | PTGS1PTGS2MPOLMNAABCG2 | |
| SCHEMBL29100458 | 0.84 | PTGS1 (0.57) | PTGS1PTGS2MPOESR2MEN1 | |
| SCHEMBL14116547 | 0.84 | MPO (0.56) | PTGS1PTGS2MPOABCG2ESR2 | |
| SCHEMBL12926033 | 0.81 | MPO (0.44) | MPOLMNAABCG2TNKSTNKS2 | |
| SCHEMBL16504074 | 0.80 | MPO (0.43) | PTGS1PTGS2MPOLMNAABCG2 | |
| SCHEMBL29100453 | 0.79 | PTGS1 (0.47) | PTGS1PTGS2MPOLMNAESR2 | |
| SCHEMBL29100460 | 0.79 | PTGS1 (0.50) | PTGS1PTGS2MPOLMNAABCG2 | |
| SCHEMBL29100454 | 0.76 | MPO (0.53) | PTGS1PTGS2MPOLMNATNKS | |
| SCHEMBL30539481 | 0.76 | CA1 (0.58) | PTGS1PTGS2MPOLMNATP53 | |
| SCHEMBL29100462 | 0.76 | CA1 (0.58) | PTGS1PTGS2MPOLMNATP53 |
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-116815207-A | Electrochemical synthesis method of 2H-indazole compound | 淮北师范大学 | 2023-09-29 | — | — | CN | disclosed |