Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.47 |
| ▸ | GRM1 | Q13255 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | GUCY1B2 | O75343 | 1/20 | 0.45 |
| ▸ | GUCY1A2 | P33402 | 1/20 | 0.45 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.45 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14603990 | 0.90 | GPR119 (0.47) | GPR119GRM1HSD17B10ALDH1A1KDM4E | |
| SCHEMBL2572102 | 0.81 | GRM1 (0.46) | GPR119GRM1HSD17B10ALDH1A1KDM4E | |
| SCHEMBL896038 | 0.79 | DPP4 (0.51) | GPR119GRM1HSD17B10ALDH1A1KDM4E | |
| SCHEMBL30919963 | 0.77 | NOTUM (0.62) | GRM1HSD17B10KDM4ECYP2C19DPP4 | |
| SCHEMBL30919992 | 0.77 | NOTUM (0.62) | GRM1HSD17B10KDM4ECYP2C19DPP4 | |
| SCHEMBL17234450 | 0.77 | NOTUM (0.62) | GRM1HSD17B10KDM4ECYP2C19DPP4 | |
| SCHEMBL17234453 | 0.77 | NOTUM (0.62) | GRM1HSD17B10KDM4ECYP2C19DPP4 | |
| SCHEMBL16695414 | 0.77 | NOTUM (0.62) | GRM1HSD17B10KDM4ECYP2C19DPP4 | |
| SCHEMBL29868881 | 0.76 | HRH3 (0.49) | GPR119GRM1HSD17B10ALDH1A1KDM4E | |
| SCHEMBL29373138 | 0.76 | HRH3 (0.49) | GPR119GRM1HSD17B10ALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2470524-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-07-04 | — | — | EP | disclosed |
| WO-2011023626-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-03 | — | — | WO | disclosed |