Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | BCR | P11274 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | CARM1 | Q86X55 | 2/20 | 0.33 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.33 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3874468 | 0.84 | PDPK1 (0.46) | ADRB2PTGDR2CHEK1PDPK1LOXL2 | |
| Tert-Butyl Formate SCHEMBL27721725 | 0.80 | BACE1 (0.35) | SYKS1PR1 | |
| Tert-Butyl Formate SCHEMBL27721628 | 0.80 | PPARA (0.35) | PPARDPPARAS1PR1TLR8TLR7 | |
| Tert-Butyl Formate SCHEMBL27721636 | 0.78 | DYRK1A (0.40) | SYK | |
| Tert-Butyl Formate SCHEMBL27844824 | 0.75 | PDPK1 (0.44) | PTGDR2PDPK1LOXL2SMPD3SYK | |
| SCHEMBL31164769 | 0.74 | ASIC3 (0.55) | PDPK1LOXL2 | |
| Tert-Butyl Formate SCHEMBL27791329 | 0.74 | MAP3K14 (0.39) | GPR119ADRB2PDPK1LOXL2SMPD3 | |
| Tert-Butyl Formate SCHEMBL27721637 | 0.71 | PNMT (0.47) | — | |
| Tert-Butyl Formate SCHEMBL27701309 | 0.71 | TDP1 (0.41) | — | |
| Tert-Butyl Formate SCHEMBL27721654 | 0.71 | PNMT (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101119968-B | Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors | HOFFMANN LA ROCHE | 2011-08-31 | — | — | CN | disclosed |
| CN-101119968-A | Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors | HOFFMANN LA ROCHE (CH) | 2008-02-06 | — | — | CN | disclosed |