Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPY4R | P50391 | 6/20 | 0.43 |
| ▸ | NPY1R | P25929 | 5/20 | 0.43 |
| ▸ | NPY2R | P49146 | 4/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL31045724 | 1.00 | CA12 (0.44) | CA12CA1CA9KDM4EALDH1A1 | |
| SCHEMBL31045822 | 0.96 | KDM4E (0.45) | CA12CA1CA9KDM4EALDH1A1 | |
| SCHEMBL30619377 | 0.96 | KDM4E (0.45) | CA12CA1CA9KDM4EALDH1A1 | |
| SCHEMBL29543910 | 0.96 | CA12 (0.47) | CA12CA1CA9KDM4EALDH1A1 | |
| SCHEMBL7208685 | 0.96 | CA12 (0.47) | CA12CA1CA9KDM4EALDH1A1 | |
| SCHEMBL7208677 | 0.96 | CA12 (0.47) | CA12CA1CA9KDM4EALDH1A1 | |
| SCHEMBL7204719 | 0.95 | KDM4E (0.48) | CA12CA1CA9KDM4EALDH1A1 | |
| SCHEMBL7204729 | 0.95 | KDM4E (0.48) | CA12CA1CA9KDM4EALDH1A1 | |
| SCHEMBL8499114 | 0.95 | KDM4E (0.48) | CA12CA1CA9KDM4EALDH1A1 | |
| SCHEMBL7205674 | 0.92 | CA12 (0.52) | CA12CA1CA9KDM4EALDH1A1 |
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-2022178128-A1 | SELECTIVE NEUTRAL PH INHIBITOR OF CATHEPSIN B | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2022-08-25 | — | — | WO | disclosed |