Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL1406822 | 0.82 | ALDH1A1 (0.42) | ALDH1A1MAPTCES2ACHECES1 | |
| Dimethylamine SCHEMBL6888559 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TET2 | |
| SCHEMBL486217 | 0.76 | ALDH1A1 (0.41) | ALDH1A1MAPTTET2CES2ACHE | |
| SCHEMBL12918771 | 0.74 | ALDH1A1 (0.46) | ALDH1A1MAPTCES2ACHECES1 | |
| SCHEMBL40660 | 0.72 | ALDH1A1 (0.61) | ALDH1A1TET2 | |
| SCHEMBL6850521 | 0.72 | ALDH1A1 (0.61) | ALDH1A1TET2 | |
| SCHEMBL219777 | 0.72 | ALDH1A1 (0.48) | ALDH1A1MAPTTET2CES2ACHE | |
| SCHEMBL27816860 | 0.72 | ALDH1A1 (0.36) | ALDH1A1MAPT | |
| Diethylamine SCHEMBL6887134 | 0.71 | ALDH1A1 (0.40) | ALDH1A1MAPTCES2ACHECES1 | |
| SCHEMBL29026886 | 0.71 | ALDH1A1 (0.31) | ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6706911-B1 | REACTING N-SUBSTITUTED 3-AMINOACRYLIC ESTERS WITH HALOALKYLCARBOXYLIC ANHYDRIDES IN PRESENCE OF BASE; PYRAZOLE-4-CARBOXYLIC ACID CHEMICAL INTERMEDIATES; HALOACYLATION | BAYER AKTIENGESELLSCHAFT (DE) | 2004-03-16 | — | — | US | disclosed |