Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | AKT2 | P31751 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.33 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1826118 | 0.78 | AKT2 (0.51) | CYP3A4AKT2MAOAMAOBAKT1 | |
| SCHEMBL17630202 | 0.75 | PYCR1 (0.40) | CYP3A4AKT2MAOAMAOBAKT1 | |
| SCHEMBL9668476 | 0.75 | TAAR1 (0.47) | MAOAMAOBALDH1A1HPGDHTT | |
| SCHEMBL1824872 | 0.73 | MAOA (0.52) | MAOAMAOBALDH1A1MEN1LMNA | |
| SCHEMBL1640771 | 0.72 | CYP3A4 (0.52) | CYP3A4ALDH1A1MAPTGAASLC6A4 | |
| SCHEMBL3086098 | 0.72 | HTT (0.38) | AKT2AKT1ALDH1A1SLC6A4MEN1 | |
| Hydrochloric Acid SCHEMBL12813543 | 0.72 | MAOA (0.50) | CYP3A4MAOAMAOBALDH1A1MAPT | |
| SCHEMBL1536180 | 0.71 | MAOA (0.35) | MAOAMAOB | |
| SCHEMBL12586329 | 0.71 | AKT2 (0.49) | AKT2AKT1SLC6A4HTR2AUSP2 | |
| Hydrochloric Acid SCHEMBL31129160 | 0.71 | CYP3A4 (0.50) | CYP3A4ALDH1A1MAPTGAASLC6A4 |
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-2274295-A1 | 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2011-01-19 | — | — | EP | disclosed |
| WO-2009135299-A1 | 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2009-11-12 | — | — | WO | disclosed |