Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | AOC2 | O75106 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.30 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12475327 | 0.88 | CTSL (0.34) | AOC2PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL23049719 | 0.88 | CTSL (0.34) | AOC2PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL23049716 | 0.88 | CTSL (0.34) | AOC2PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL1631310 | 0.84 | — | — | |
| SCHEMBL16439879 | 0.82 | — | — | |
| SCHEMBL9227831 | 0.81 | CYP19A1 (0.36) | KAT2BBAZ2BNAAACYP2C19L3MBTL1 | |
| SCHEMBL3126215 | 0.80 | — | — | |
| SCHEMBL1020070 | 0.80 | NAAA (0.50) | NAAACYP2C19HTTCYP19A1ALDH1A1 | |
| SCHEMBL7427174 | 0.80 | MGAM (0.41) | KAT2BBAZ2BNAAACYP2C19L3MBTL1 | |
| SCHEMBL29592874 | 0.79 | KAT2B (0.35) | KAT2BBAZ2BNAAACYP2C19L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3596064-B1 | TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2021-03-03 | — | — | EP | disclosed |
| EP-2604595-B1 | TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY | SHIONOGI & CO (JP) | 2016-03-16 | — | — | EP | disclosed |
| WO-1996025426-A9 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | — | 1997-06-12 | — | — | WO | disclosed |