Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12486753 | 0.80 | TRPM4 (0.52) | CYP1A2HIF1AHSD17B10PTPN22TSHR | |
| SCHEMBL19253229 | 0.77 | CYP1A2 (0.46) | CYP1A2HIF1AESR1ESR2HSD17B10 | |
| SCHEMBL2115679 | 0.75 | CYP1A2 (0.50) | CYP1A2HIF1AESR1ESR2HSD17B10 | |
| SCHEMBL25428008 | 0.73 | ALDH1A1 (0.62) | CYP1A2HIF1AHSD17B10PTPN22TSHR | |
| SCHEMBL28872648 | 0.73 | ALDH1A1 (0.50) | CYP1A2HIF1AHSD17B10PTPN22TSHR | |
| SCHEMBL890731 | 0.71 | PTPN22 (0.54) | CYP1A2HIF1AHSD17B10PTPN22TSHR | |
| SCHEMBL27737884 | 0.71 | CYP1A2 (0.52) | CYP1A2HIF1AESR1ESR2HSD17B10 | |
| SCHEMBL27305176 | 0.71 | CYP1A2 (0.46) | CYP1A2HIF1AESR1ESR2HSD17B10 | |
| SCHEMBL30906876 | 0.71 | ALOX15 (0.46) | CYP1A2ESR2CYP3A4ALOX15TSHR | |
| Methyl Alcohol SCHEMBL27872622 | 0.71 | NQO1 (0.46) | CYP1A2HIF1AESR1ESR2HSD17B10 |
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-2021142474-A1 | COVALENT ORGANIC FRAMEWORKS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-07-15 | — | — | WO | disclosed |