Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 6/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL3936713 | 0.90 | GRM5 (0.45) | GRM5FFAR1PTPN1PTGESALDH1A1 | |
| SCHEMBL4174001 | 0.86 | GRM5 (0.49) | GRM5FFAR1PTPN1PTGESHTR2A | |
| SCHEMBL2950490 | 0.83 | FFAR1 (0.49) | GRM5FFAR1PTPN1PTGESPTGDR2 | |
| SCHEMBL2951986 | 0.81 | FFAR1 (0.47) | GRM5FFAR1PTPN1PTGESHTR2C | |
| SCHEMBL30873473 | 0.80 | GRM5 (0.58) | GRM5FFAR1PTPN1PTGESALDH1A1 | |
| SCHEMBL2946792 | 0.80 | HTR2C (0.48) | GRM5FFAR1PTPN1PTGESALDH1A1 | |
| SCHEMBL1591331 | 0.79 | FFAR1 (0.51) | GRM5FFAR1PTPN1PTGESALDH1A1 | |
| SCHEMBL4020265 | 0.79 | GABRP (0.44) | FFAR1HRH3ADORA2B | |
| SCHEMBL2236377 | 0.77 | FFAR1 (0.53) | GRM5FFAR1CYP2D6PTPN1PTGES | |
| SCHEMBL8006286 | 0.77 | GRM5 (0.53) | GRM5FFAR1PTPN1PTGESALDH1A1 |
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 |