Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 2/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16699601 | 0.82 | MAPKAPK2 (0.38) | GRM2CHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL16699584 | 0.80 | GRM2 (0.35) | GRM2HTR2ACHRM3 | |
| SCHEMBL16699965 | 0.78 | F2RL3 (0.32) | GRM2 | |
| SCHEMBL16709059 | 0.78 | CNR1 (0.35) | GRM2CHRM3 | |
| SCHEMBL16698296 | 0.76 | F2RL3 (0.32) | — | |
| SCHEMBL16700392 | 0.75 | NISCH (0.35) | GRM2PGRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16699337 | 0.74 | CHRM3 (0.35) | GRM2HTR2ACHRM3 | |
| SCHEMBL16709055 | 0.72 | GRM2 (0.33) | GRM2HTR2ACHRM3 | |
| SCHEMBL26645303 | 0.67 | DHODH (0.37) | HTR2ASLC6A3 | |
| SCHEMBL16700138 | 0.67 | CSNK1E (0.40) | CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015073767-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-05-21 | — | — | WO | disclosed |