Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.30 |
| ▸ | STK3 | Q13188 | 1/20 | 0.30 |
| ▸ | STK26 | Q9P289 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | FAP | Q12884 | 1/20 | 0.30 |
| ▸ | DPP8 | Q6V1X1 | 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 | |
|---|---|---|---|---|
| SCHEMBL2012161 | 0.89 | GRM5 (0.32) | GRM5HPGDKDM4EALDH1A1MEN1 | |
| SCHEMBL2011595 | 0.78 | PDE2A (0.36) | GRM5KDM4EALDH1A1LRRK2STK3 | |
| SCHEMBL1990808 | 0.69 | KDM4E (0.43) | GRM5HPGDKDM4EALDH1A1CYP1A2 | |
| SCHEMBL259847 | 0.67 | HTT (0.49) | HPGDKDM4EALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL2012158 | 0.67 | PDE2A (0.36) | GRM5KDM4EALDH1A1LRRK2STK3 | |
| SCHEMBL12611648 | 0.60 | KDM4E (0.48) | HPGDKDM4EALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL1991789 | 0.58 | GRM5 (0.49) | GRM5KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL1993269 | 0.58 | MAPT (0.42) | GRM5HPGDKDM4EALDH1A1CYP1A2 | |
| SCHEMBL1990705 | 0.55 | ALDH1A1 (0.43) | GRM5HPGDKDM4EALDH1A1CYP1A2 | |
| SCHEMBL28328667 | 0.55 | CYP3A4 (0.41) | HPGDKDM4EALDH1A1CYP1A2CYP2C19 |
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-2513102-A1 | ETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073172-A1 | ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |