Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22999982 | 0.85 | CA2 (0.60) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL4953765 | 0.85 | CA2 (0.60) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL22064852 | 0.83 | CA2 (0.52) | ESR1CA2CA4CA5AABL1 | |
| SCHEMBL22999958 | 0.82 | CA2 (0.52) | ESR1CA2CA4CA5AABL1 | |
| SCHEMBL8388202 | 0.80 | CA2 (0.48) | CA2CA4CA5ACYP1A2CYP2C19 | |
| SCHEMBL22020409 | 0.77 | ESR1 (0.41) | ESR1ESR2CA2ABL1ABCB1 | |
| SCHEMBL2171752 | 0.77 | CA2 (0.71) | ESR1CA2CA4CA5ACYP1A2 | |
| SCHEMBL23000023 | 0.76 | CA2 (0.44) | CA2CA4CA5ACYP1A2CYP2C19 | |
| SCHEMBL28886060 | 0.76 | ESR1 (0.55) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL753791 | 0.76 | CA2 (0.71) | CA2CA4CA5ACA1CA9 |
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 |