Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.65 |
| ▸ | CA4 | P22748 | 6/20 | 0.65 |
| ▸ | CA1 | P00915 | 8/20 | 0.41 |
| ▸ | CA6 | P23280 | 4/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15961197 | 0.79 | CA2 (1.00) | CA2CA4CA1CA6DRD4 | |
| SCHEMBL6828106 | 0.78 | CA2 (0.50) | CA2CA4CA1CA6PTPN1 | |
| SCHEMBL22402725 | 0.78 | DRD4 (0.48) | CA2CA4DRD4 | |
| SCHEMBL9549629 | 0.76 | CA2 (0.46) | CA2CA4IMPDH2AKR1B1 | |
| SCHEMBL6825433 | 0.73 | DRD4 (0.56) | CA2CA4CA1CA6DRD4 | |
| SCHEMBL11389950 | 0.72 | DRD4 (0.55) | CA2CA4CA1CA6DRD4 | |
| SCHEMBL1783863 | 0.72 | CA2 (0.39) | CA2CA4CA1CA6PTPN1 | |
| SCHEMBL14946904 | 0.72 | CA2 (0.39) | CA2CA4CA1CA6PTPN1 | |
| SCHEMBL9070629 | 0.72 | CA2 (0.42) | CA2CA4CA1CA6PTPN1 | |
| SCHEMBL7971157 | 0.71 | CA2 (0.46) | CA2CA4CA1CA6IMPDH2 |
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-2004073612-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO. INC. (US) | 2004-09-02 | — | — | WO | disclosed |