Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL22540320 | 0.87 | ALDH1A1 (0.47) | ALDH1A1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL22851372 | 0.80 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL23761710 | 0.79 | ALDH1A1 (0.40) | ALDH1A1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL14079945 | 0.78 | ALDH1A1 (0.43) | ALDH1A1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL8024200 | 0.70 | ALDH1A1 (0.36) | ALDH1A1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL960667 | 0.70 | — | — | |
| SCHEMBL17593265 | 0.69 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL829441 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL3484569 | 0.68 | ALDH1A1 (0.50) | ALDH1A1CHRNB2CHRNB4CHRNA4 | |
| Hydrochloric Acid SCHEMBL958973 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6153659-A | 3-{N-[2-(N',N'-dimethylamino ethoxy)ethyl]-N-methylamino}propionamide for the production of polyurethanes | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2000-11-28 | — | — | US | disclosed |
| US-6037496-A | CATALYZES THE REACTION BETWEEN AN ISOCYANATE AND WATER IN THE PRODUCTION OF FOAMED POLYURETHANES | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2000-03-14 | — | — | US | disclosed |