Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL6888907 | 0.89 | ALDH1A1 (0.43) | ALDH1A1TSHRMAPTSMN1; SMN2CYP2D6 | |
| Dimethylamine SCHEMBL6888559 | 0.82 | ALDH1A1 (0.41) | ALDH1A1 | |
| Dimethylamine SCHEMBL1406822 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TSHRMAPTSMN1; SMN2CYP2D6 | |
| SCHEMBL11201754 | 0.79 | ALDH1A1 (0.45) | ALDH1A1TSHRMAPTSMN1; SMN2CYP2D6 | |
| Dimethylamine SCHEMBL8665783 | 0.78 | THRB (0.53) | ALDH1A1TSHRMAPTSMN1; SMN2CYP2D6 | |
| SCHEMBL13269637 | 0.76 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPTSMN1; SMN2CYP2D6 | |
| SCHEMBL79588 | 0.76 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPTSMN1; SMN2CYP2D6 | |
| SCHEMBL28293945 | 0.76 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPTSMN1; SMN2CYP2D6 | |
| Diethylamine SCHEMBL6891097 | 0.76 | ALDH1A1 (0.35) | ALDH1A1TSHR | |
| SCHEMBL16125671 | 0.75 | ALDH1A1 (0.47) | ALDH1A1TSHRMAPTSMN1; SMN2CYP2D6 |
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 |