Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 1/20 | 0.44 |
| ▸ | GABRD | O14764 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.44 |
| ▸ | GABRE | P78334 | 1/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.44 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.44 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.44 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3940735 | 0.89 | FFAR1 (0.43) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL3943848 | 0.84 | KIF11 (0.44) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL28425179 | 0.82 | GABRP (0.49) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL2955184 | 0.81 | GABRP (0.43) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL5482239 | 0.81 | KIF11 (0.41) | KIF11SLC6A4HRH3TAAR1 | |
| SCHEMBL3937119 | 0.79 | GRM5 (0.47) | HRH3FFAR1ADORA2B | |
| SCHEMBL23014809 | 0.78 | FFAR1 (0.39) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL23014712 | 0.78 | FFAR1 (0.39) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL2946865 | 0.78 | GABRP (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL28539217 | 0.77 | CYP2A6 (0.46) | KIF11SLC6A4HRH3KCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046746-A2 | CHEMICAL COMPOUNDS | Praecis Pharmaceuticals Incorporated (US) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008016692-A2 | CHEMICAL COMPOUNDS | PRAECIS PHARMACEUTICALS INCORPORATED (US) | 2008-02-07 | — | — | WO | disclosed |
| EP-1781608-A1 | INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006018174-A1 | INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-02-23 | — | — | WO | disclosed |