Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 6/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| 2,4-Dichlorophenol SCHEMBL2556898 | 0.82 | HSD17B10 (0.74) | HSD17B10TSHRESR2CYP3A4TDP1 | |
| 2,4-Dichlorophenol SCHEMBL77936 | 0.81 | — | — | |
| 2,4-Dichlorophenol SCHEMBL30084868 | 0.81 | — | — | |
| 2,4-Dichlorophenol SCHEMBL30396784 | 0.81 | — | — | |
| SCHEMBL12265492 | 0.81 | HSD17B10 (0.45) | HSD17B10TSHRESR2ESR1CYP3A4 | |
| SCHEMBL28354808 | 0.80 | CYP3A4 (0.58) | HSD17B10TSHRESR2ESR1CYP3A4 | |
| 2,4-Dichlorophenol SCHEMBL28376543 | 0.80 | HSD17B10 (0.71) | HSD17B10TSHRESR2CYP3A4TDP1 | |
| 2,4-Dichlorophenol SCHEMBL8652931 | 0.79 | HSD17B10 (0.77) | HSD17B10TSHRESR2CYP3A4TDP1 | |
| 2,4-Dichlorophenol SCHEMBL7394579 | 0.79 | HSD17B10 (0.94) | HSD17B10TSHRESR2CYP3A4TDP1 | |
| 2,4-Dichlorophenol SCHEMBL8526331 | 0.79 | HSD17B10 (0.94) | HSD17B10TSHRESR2CYP3A4TDP1 |
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-110461828-A | IP6K inhibitor | TAKEDA PHARMACEUTICALS CO | 2019-11-15 | — | — | CN | disclosed |