Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20179181 | 1.00 | CYP4F2 (0.44) | CYP4F2CYP4A11CA12CA1CA2 | |
| SCHEMBL20179138 | 0.91 | SLC7A5 (0.38) | CA12CA1CA2CA9CA14 | |
| SCHEMBL20168666 | 0.91 | SLC7A5 (0.38) | CA12CA1CA2CA9CA14 | |
| SCHEMBL20168531 | 0.87 | CA12 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20179148 | 0.87 | CA12 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20179182 | 0.87 | CYP4F2 (0.47) | CYP4F2CYP4A11CA12CA1CA2 | |
| SCHEMBL20168576 | 0.87 | CYP4F2 (0.47) | CYP4F2CYP4A11CA12CA1CA2 | |
| SCHEMBL21578144 | 0.86 | CYP4F2 (0.48) | CYP4F2CYP4A11CA12CA1CA2 | |
| SCHEMBL20168303 | 0.84 | CYP4F2 (0.49) | CYP4F2CYP4A11CA12CA1CA2 | |
| SCHEMBL20168716 | 0.84 | CYP4F2 (0.46) | CYP4F2CYP4A11CA12CA1CA2 |
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 |