Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | BCR | P11274 | 1/20 | 0.43 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22064852 | 0.88 | CA2 (0.52) | CA2CA4CA5AGRIK1MEN1 | |
| SCHEMBL753791 | 0.86 | CA2 (0.71) | CA2CA4CA5APTPN5PTPN1 | |
| SCHEMBL4953765 | 0.85 | CA2 (0.60) | CA2CA4CA5AGRIK1MEN1 | |
| SCHEMBL22999982 | 0.85 | CA2 (0.60) | CA2CA4CA5AGRIK1MEN1 | |
| Hydrochloric Acid SCHEMBL28980267 | 0.84 | CA2 (0.68) | CA2CA4CA5APTPN5PTPN1 | |
| SCHEMBL22999964 | 0.82 | ESR1 (0.46) | CA2CA4CA5AGRIK1ESR1 | |
| SCHEMBL12353499 | 0.81 | GRIK1 (0.62) | CA2CA4CA5AGRIK1HSD17B1 | |
| SCHEMBL7188804 | 0.80 | CA2 (0.62) | CA2CA4CA5AGRIK1PTPN5 | |
| SCHEMBL9927317 | 0.79 | KMO (0.48) | CA2MEN1ESR1KMT2APTPN5 | |
| SCHEMBL18780695 | 0.79 | KMO (0.48) | CA2MEN1ESR1KMT2APTPN5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230330605-A1 | SEMICONDUCTIVE AND PROTON-CONDUCTIVE POROUS HYDROGEN-BONDED FRAMEWORKS | Technische Universität Berlin (DE) | 2023-10-19 | — | — | US | disclosed |
| EP-3783633-A1 | SUPERCAPACITORS COMPRISING PHOSPHONATE AND ARSONATE METAL ORGANIC FRAMEWORKS (MOFS) AS ACTIVE ELECTRODE MATERIALS | Technische Universität Berlin (DE) | 2021-02-24 | — | — | EP | disclosed |