Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | CASP9 | P55211 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | STAT6 | P42226 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23535393 | 0.85 | HPGDS (0.66) | HPGDSCASP3CASP7CASP9CYP2C9 | |
| SCHEMBL4044126 | 0.81 | MAPT (0.64) | HPGDSCASP3CASP7CASP9CYP2C9 | |
| SCHEMBL17240274 | 0.80 | MAPT (0.50) | CASP3CASP7CASP9HSD17B10ALDH1A1 | |
| SCHEMBL18114640 | 0.77 | HTR2A (0.43) | HPGDSCASP3CASP7CASP9CYP2C9 | |
| SCHEMBL18907831 | 0.75 | NPC1 (0.62) | ALDH1A1KMT2AIDO1TDO2HPGD | |
| SCHEMBL9659149 | 0.74 | HPGD (0.52) | CASP3CASP7CASP9ALDH1A1KDM4E | |
| SCHEMBL23535141 | 0.73 | HPGDS (0.39) | HPGDSCASP3CASP7CASP9CYP2C9 | |
| SCHEMBL9627412 | 0.73 | EP300 (0.48) | HSD17B10ALDH1A1CYP3A4KMT2AMEN1 | |
| SCHEMBL5172040 | 0.71 | EP300 (0.47) | HSD17B10ALDH1A1CYP3A4KMT2AMEN1 | |
| SCHEMBL7622167 | 0.71 | EP300 (0.56) | HSD17B10ALDH1A1CYP3A4KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021125905-A1 | NOVEL THIAZOLE DERIVATIVE AND USE THEREOF | 가천대학교 산학협력단 | 2021-06-24 | — | — | WO | disclosed |