Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.56 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.56 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL2826349 | 0.92 | GABBR2 (0.64) | GABBR2GABBR1GPR84ALDH1A1NPC1 | |
| SCHEMBL2826346 | 0.92 | GABBR2 (0.64) | GABBR2GABBR1GPR84ALDH1A1NPC1 | |
| SCHEMBL2826352 | 0.92 | GABBR2 (0.64) | GABBR2GABBR1GPR84ALDH1A1NPC1 | |
| SCHEMBL2828609 | 0.79 | GABBR2 (0.81) | GABBR2GABBR1ALDH1A1NPC1RAB9A | |
| SCHEMBL3418225 | 0.74 | BACE1 (0.56) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL2371847 | 0.72 | GABBR2 (1.00) | GABBR2GABBR1 | |
| SCHEMBL2371842 | 0.72 | GABBR2 (1.00) | GABBR2GABBR1 | |
| SCHEMBL2371840 | 0.72 | GABBR2 (1.00) | GABBR2GABBR1 | |
| SCHEMBL4598293 | 0.68 | GABBR2 (0.46) | GABBR2GABBR1PDK2PTPN5 | |
| SCHEMBL30504387 | 0.66 | KMT2A (0.52) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 |
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-1915357-B1 | 2-HYDROXY-PROPIONIC ACID DERIVATIVES AND 3-HYDROXY-BENZOFURAN-2-ONE DERIVATIVES WITH AFFINITY FOR THE GABA-B-RECEPTOR | HOFFMANN LA ROCHE (CH) | 2010-09-08 | — | — | EP | disclosed |