Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 2/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | SLC9A1 | P19634 | 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 | |
|---|---|---|---|---|
| SCHEMBL2012496 | 0.87 | ACHE (0.41) | HTR1AHTR7PGRACHE | |
| SCHEMBL2014605 | 0.84 | PTGS2 (0.42) | HTR1AHTR7ACHEMET | |
| SCHEMBL2432905 | 0.79 | TGFBR1 (0.38) | — | |
| SCHEMBL2011820 | 0.78 | GRM5 (0.32) | HTR1AHTR7MET | |
| SCHEMBL6191314 | 0.78 | ABL1 (0.33) | HTR1AHTR7MET | |
| SCHEMBL22115865 | 0.78 | — | — | |
| SCHEMBL695988 | 0.77 | PDCD1 (0.39) | — | |
| SCHEMBL2015762 | 0.76 | HTR1A (0.35) | HTR1AHTR7 | |
| SCHEMBL5778856 | 0.76 | ABL1 (0.53) | — | |
| SCHEMBL2053486 | 0.76 | MAPK14 (0.35) | ACHEPIK3CA |
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 |