Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 13/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
| ▸ | GABRE | P78334 | 1/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.37 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.37 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.37 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.37 |
| ▸ | ENPP1 | P22413 | 3/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL3127269 | 0.90 | CHEK1 (0.37) | CHEK1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3141184 | 0.87 | GABRA1 (0.30) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL3138608 | 0.79 | CHEK1 (0.41) | CHEK1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3137099 | 0.79 | NR3C1 (0.34) | PIN1 | |
| SCHEMBL3136216 | 0.79 | — | — | |
| SCHEMBL2107455 | 0.77 | GPR35 (0.49) | CHEK1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3133401 | 0.75 | NQO1 (0.37) | ENPP1PIN1 | |
| SCHEMBL3412763 | 0.75 | CYP19A1 (0.50) | PIN1 | |
| SCHEMBL3141851 | 0.73 | CAMKK2 (0.35) | CHEK1PIN1PDPK1DYRK3MAP4K4 | |
| SCHEMBL4038601 | 0.71 | DAO (0.51) | CSNK2A1PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1636224-B1 | PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE | PROSIDION LTD (GB) | 2010-07-14 | — | — | EP | claimed |