Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT1 | P54687 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 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 | |
|---|---|---|---|---|
| SCHEMBL2651882 | 0.83 | BCAT1 (0.41) | BCAT1GABRA1GABRG2GABRB3GABRA2 | |
| SCHEMBL2652449 | 0.82 | KDM1A (0.38) | BCAT1GABRA1GABRG2GABRB3GABRA2 | |
| SCHEMBL2660110 | 0.79 | CYP11B1 (0.43) | BCAT1GABRA1GABRG2GABRB3GABRA2 | |
| SCHEMBL2652017 | 0.75 | GABRA1 (0.41) | GABRA1GABRG2GABRB3GABRA2TRPV4 | |
| SCHEMBL2651451 | 0.74 | CYP11B1 (0.39) | GABRA1GABRG2GABRB3GABRA2CYP11B1 | |
| SCHEMBL12679721 | 0.73 | TRPV4 (0.38) | GABRG2GABRB3TRPV4KDM4EHPGD | |
| SCHEMBL2658462 | 0.72 | JAK2 (0.32) | BCAT1GABRA1GABRG2GABRB3GABRA2 | |
| SCHEMBL977135 | 0.70 | DYRK1A (0.44) | BCAT1DYRK1ATRPV4NPC1RAB9A | |
| SCHEMBL29361902 | 0.70 | DYRK1A (0.44) | BCAT1DYRK1ATRPV4NPC1RAB9A | |
| SCHEMBL29076089 | 0.69 | ESR2 (0.41) | GABRG2GABRB3TRPV4CYP11B1CYP11B2 |
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-2004065388-A1 | FLUOROIMIDAZOPYRIMIDINES AS GABA-A ALPHA 2/3 LIGANDS FOR DEPRESSION/ANXIETY | MERCK SHARP & DOHME LIMITED (GB) | 2004-08-05 | — | — | WO | disclosed |