Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CTPS1 | P17812 | 3/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL21392034 | 0.80 | ABL1 (0.31) | — | |
| SCHEMBL21392067 | 0.79 | — | — | |
| SCHEMBL21381503 | 0.78 | CTPS1 (0.48) | CTPS1 | |
| SCHEMBL21381538 | 0.70 | AKR1C3 (0.37) | GAATHRBCTPS1AKR1C3AKR1C2 | |
| SCHEMBL30415967 | 0.66 | CTPS1 (0.47) | CTPS1 | |
| SCHEMBL21392173 | 0.66 | CTPS1 (0.47) | CTPS1 | |
| SCHEMBL21392345 | 0.64 | CTPS1 (0.37) | CTPS1 | |
| SCHEMBL21392099 | 0.63 | CTPS1 (0.30) | CTPS1 | |
| SCHEMBL21392235 | 0.62 | CTPS1 (0.58) | CTPS1 | |
| SCHEMBL6418756 | 0.62 | KCNH2 (0.43) | GAATHRBCTPS1AKR1C3AKR1C2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019179652-A1 | AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS | STEP PHARMA S.A.S. (FR) | 2019-09-26 | — | — | WO | disclosed |
| WO-2019180244-A1 | AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS | STEP PHARMA S.A.S. (FR) | 2019-09-26 | — | — | WO | disclosed |