Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20179148 | 1.00 | CA12 (0.40) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL20179138 | 0.92 | SLC7A5 (0.38) | CA12CA1CA2CA9CA14 | |
| SCHEMBL20168666 | 0.92 | SLC7A5 (0.38) | CA12CA1CA2CA9CA14 | |
| SCHEMBL20168734 | 0.89 | CA12 (0.45) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL20179146 | 0.89 | CA12 (0.45) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL20168301 | 0.87 | CYP4F2 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20179181 | 0.87 | CYP4F2 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20168304 | 0.85 | SMN1; SMN2 (0.46) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL20168309 | 0.83 | HTT (0.49) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL21577929 | 0.81 | CA12 (0.47) | CA12CA1CA2ESR1CA7 |
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-2018094334-A1 | PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS | THE JOHNS HOPKINS UNIVERSITY (US) | 2018-05-24 | — | — | WO | disclosed |