Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | SCN1A | P35498 | 1/20 | 0.46 |
| ▸ | SCN4A | P35499 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.46 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 5/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3724373 | 0.69 | BACE1 (0.46) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| SCHEMBL14354280 | 0.67 | CYP2C9 (0.63) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| SCHEMBL746519 | 0.67 | BACE1 (0.41) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| SCHEMBL10970570 | 0.65 | BACE1 (0.43) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| SCHEMBL18923920 | 0.65 | MAOB (0.46) | HTR2AMAOBMAOA | |
| SCHEMBL34464661 | 0.64 | DDB1 (0.40) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| Phenytoin SCHEMBL5144250 | 0.63 | CYP2C9 (0.71) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| SCHEMBL11841553 | 0.63 | CYP19A1 (0.71) | PMP22 | |
| SCHEMBL11840135 | 0.63 | CYP19A1 (0.71) | PMP22 | |
| SCHEMBL3973309 | 0.63 | CYP2C9 (0.52) | CYP2C9CACNA1FALDH1A1MAPTHTR2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2478098-B1 | PREPARATION OF BETA-AMINO ACIDS | BASF SE (DE) | 2017-03-15 | — | — | EP | claimed |
| US-9096841-B2 | Preparation of beta-amino acids | BASF SE (DE) | 2015-08-04 | — | — | US | claimed |
| CN-102782128-A | Preparation of beta-amino acids | BASF SE | 2012-11-14 | — | — | CN | claimed |
| US-20120270280-A1 | PREPARATION OF BETA-AMINO ACIDS | BASF SE (DE) | 2012-10-25 | — | — | US | claimed |
| EP-2478098-A1 | PREPARATION OF BETA-AMINO ACIDS | BASF SE (DE) | 2012-07-25 | — | — | EP | claimed |
| WO-2011032990-A1 | PREPARATION OF BETA-AMINO ACIDS | BASF SE (DE) | 2011-03-24 | — | — | WO | claimed |