Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.30 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.30 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL2012041 | 0.85 | ACHE (0.46) | ACHEGAAMGAMSIMGAM2 | |
| SCHEMBL12815748 | 0.83 | CCNE2 (0.35) | HSD11B1BCAT1CCNE2CCNE1CDK2 | |
| SCHEMBL2050737 | 0.79 | ACHE (0.43) | ACHEGAAMGAMSIMGAM2 | |
| SCHEMBL16720155 | 0.79 | CES2 (0.33) | NPC1RAB9ASMN1; SMN2BCAT1CCNE2 | |
| SCHEMBL2014554 | 0.79 | TAAR1 (0.34) | GAABCAT1CCNE2CCNE1CDK2 | |
| SCHEMBL1115213 | 0.78 | HSD11B1 (0.36) | ACHEHSD11B1GAAMGAMSI | |
| SCHEMBL8129046 | 0.78 | ACHE (0.46) | ACHEGAAMGAMSIMGAM2 | |
| SCHEMBL1370373 | 0.77 | TSHR (0.39) | ACHEGAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2049471 | 0.76 | HSD11B1 (0.46) | HSD11B1 | |
| SCHEMBL2049864 | 0.74 | S1PR2 (0.37) | ACHECTSA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013182433-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-12-12 | — | — | WO | disclosed |
| EP-2547687-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-01-23 | — | — | EP | disclosed |
| EP-2513067-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011113820-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2011-09-22 | — | — | WO | disclosed |
| WO-2011073145-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |