Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL27439148 | 0.79 | — | — | |
| SCHEMBL1763751 | 0.77 | PKM (0.37) | PKMHCAR2JMJD6NPC1RAB9A | |
| SCHEMBL2363165 | 0.76 | — | — | |
| Methylamine SCHEMBL27628958 | 0.76 | HCAR2 (0.39) | PKMSMN1; SMN2ESR1ACHEHCAR2 | |
| SCHEMBL21625817 | 0.70 | HIF1A (0.37) | KMT2ASMN1; SMN2ESR1HIF1ARECQL | |
| SCHEMBL28317948 | 0.70 | HCAR2 (0.38) | PKMSMN1; SMN2HCAR2ALOX15NPC1 | |
| SCHEMBL10801840 | 0.69 | NPC1 (0.51) | PKMKMT2ASMN1; SMN2ESR1HCAR2 | |
| SCHEMBL27466752 | 0.69 | ACHE (0.41) | KMT2ASMN1; SMN2ESR1HIF1ARECQL | |
| SCHEMBL27935866 | 0.69 | KMT2A (0.36) | PKMKMT2ASMN1; SMN2ESR1HIF1A | |
| SCHEMBL4601907 | 0.68 | ACHE (0.44) | KMT2ASMN1; SMN2ESR1HIF1ARECQL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108752383-A | One kind having active pyrazole carboxylate manganese complexes of SOD and preparation method thereof | 江苏理工学院 | 2018-11-06 | — | — | CN | claimed |
| CN-108752383-A | One kind having active pyrazole carboxylate manganese complexes of SOD and preparation method thereof | 江苏理工学院 | 2018-11-06 | — | — | CN | disclosed |
| CN-108752383-A | One kind having active pyrazole carboxylate manganese complexes of SOD and preparation method thereof | 江苏理工学院 | 2018-11-06 | — | — | CN | disclosed |
| CN-106187894-A | The preparation method of 1 methyl 3 ethyl 4 chlorine 5 pyrazole carboxylic acid ethyl ester | 潍坊鑫诺化工有限公司 | 2016-12-07 | — | — | CN | disclosed |