Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1867868 | 0.98 | MAOB (0.41) | ALDH1A1MAPTMAOBHRH1CACNA1G | |
| SCHEMBL507036 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPTMAOBCACNA1GCACNA1H | |
| SCHEMBL14211870 | 0.79 | CACNA1I (0.40) | ALDH1A1MAPTCACNA1GCACNA1HCNR2 | |
| SCHEMBL1063185 | 0.79 | CACNA1I (0.40) | ALDH1A1MAPTCACNA1GCACNA1HCNR2 | |
| SCHEMBL506395 | 0.79 | ALDH1A1 (0.39) | ALDH1A1MAPTCACNA1GCACNA1HCNR2 | |
| SCHEMBL18172012 | 0.75 | ALDH1A1 (0.50) | ALDH1A1MAPTCACNA1GCACNA1HCNR2 | |
| SCHEMBL264652 | 0.75 | TAAR1 (0.52) | ALDH1A1MAOBHRH1TAAR1KMT2A | |
| SCHEMBL1025383 | 0.75 | TAAR1 (0.52) | ALDH1A1MAPTMAOBHRH1TAAR1 | |
| SCHEMBL31477886 | 0.75 | TAAR1 (0.52) | ALDH1A1MAOBHRH1TAAR1KMT2A | |
| SCHEMBL3889562 | 0.75 | MAOB (0.63) | MAOBTAAR1 |
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-2010493-A2 | PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | Merck & Co., Inc. (US) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007120729-A2 | PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | disclosed |