Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | L3MBTL3 | Q96JM7 | 2/20 | 0.37 |
| ▸ | L3MBTL4 | Q8NA19 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19280276 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TP53HPGDOPRM1HSD11B1 | |
| SCHEMBL10322683 | 0.82 | OPRM1 (0.47) | SMN1; SMN2OPRM1HSD11B1CA12CA1 | |
| SCHEMBL23647568 | 0.82 | CNR2 (0.43) | ALDH1A1NPSR1OPRM1HSD11B1CA12 | |
| SCHEMBL4662764 | 0.81 | CA12 (0.43) | ALDH1A1HPGDSMN1; SMN2OPRM1CA12 | |
| SCHEMBL19331170 | 0.80 | JAK2 (0.46) | BACE1 | |
| SCHEMBL3599347 | 0.80 | HSD11B1 (0.44) | ALDH1A1TP53HPGDGAASMN1; SMN2 | |
| SCHEMBL5667136 | 0.79 | BACE1 (0.40) | ALDH1A1GAAOPRM1HSD11B1CTSD | |
| SCHEMBL2931546 | 0.79 | OPRM1 (0.47) | HPGDGAAOPRM1 | |
| SCHEMBL3494228 | 0.79 | CA12 (0.49) | ALDH1A1TP53NPSR1OPRM1CA12 | |
| SCHEMBL1556078 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3884939-A1 | 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF | Raze Therapeutics, Inc. (US) | 2021-09-29 | — | — | EP | disclosed |