Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 4/20 | 0.34 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4446823 | 0.82 | GABBR2 (0.32) | GABBR2GABBR1 | |
| SCHEMBL7138699 | 0.82 | GABBR2 (0.32) | GABBR2GABBR1 | |
| SCHEMBL6975647 | 0.81 | ALDH1A1 (0.36) | LMNACYP3A4CYP2D6TSHRKMT2A | |
| SCHEMBL13031139 | 0.76 | GABBR2 (0.34) | GABBR2GABBR1LMNACYP2C9CYP3A4 | |
| SCHEMBL10611555 | 0.69 | CTRB1 (0.34) | — | |
| SCHEMBL5160963 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL5929582 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL3957367 | 0.69 | ATM (0.33) | — | |
| SCHEMBL3957396 | 0.69 | ATM (0.33) | — | |
| SCHEMBL4918514 | 0.68 | SLC7A5 (0.40) | LMNACYP2C9CYP3A4ADORA3NFKB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050153401-A1 | Process for preparing optically active beta-aminocarboxylic acids from racemic n-acylated beta-aminocarboxylic acids | DEGUSSA AG (DE) | 2005-07-14 | — | — | US | disclosed |
| EP-1487990-A2 | PROCESS FOR PREPARING OPTICALLY ACTIVE BETA-AMINOCARBOXYLIC ACIDS FROM RACEMIC N-ACYLATED BETA-AMINOCARBOXYLIC ACIDS | Degussa AG (DE) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003080854-A2 | PROCESS FOR PREPARING OPTICALLY ACTIVE BETA-AMINOCARBOXYLIC ACIDS FROM RACEMIC N-ACYLATED BETA-AMINOCARBOXYLIC ACIDS | DEGUSSA AG (DE) | 2003-10-02 | — | — | WO | disclosed |