Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6642350 | 0.91 | TSHR (0.39) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL6638744 | 0.91 | TSHR (0.39) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL7515879 | 0.86 | ALDH1A1 (0.30) | ALDH1A1TSHR | |
| Ethylene SCHEMBL9816770 | 0.80 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL1457249 | 0.80 | ALDH1A1 (0.37) | ALDH1A1TSHR | |
| SCHEMBL31058595 | 0.79 | CA1 (0.33) | ALDH1A1 | |
| SCHEMBL2000027 | 0.77 | ALDH1A1 (0.54) | ALDH1A1TSHR | |
| SCHEMBL31058596 | 0.77 | EPHX1 (0.32) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL2900301 | 0.77 | POLB (0.41) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL8358264 | 0.77 | ALDH1A1 (0.32) | ALDH1A1CYP3A4TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1119634-B1 | ENZYME-CATALYZED RACEMIC CLEAVAGE OF PRIMARY AMINES | BASF AG (DE) | 2004-05-26 | — | — | EP | disclosed |
| US-6465223-B1 | Enzyme-catalyzed racemic cleavage of primary amines | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-15 | — | — | US | disclosed |
| EP-1119634-A1 | ENZYME-CATALYZED RACEMIC CLEAVAGE OF PRIMARY AMINES | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000011203-A1 | ENZYME-CATALYZED RACEMIC CLEAVAGE OF PRIMARY AMINES | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-02 | — | — | WO | disclosed |