Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | APLNR | P35414 | 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 | |
|---|---|---|---|---|
| SCHEMBL28238709 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CYP3A4APLNR | |
| SCHEMBL28143136 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CYP3A4APLNR | |
| SCHEMBL9775798 | 0.98 | ALDH1A1 (0.50) | ALDH1A1CYP3A4APLNR | |
| SCHEMBL2895514 | 0.91 | ALDH1A1 (0.41) | ALDH1A1CYP3A4 | |
| Pentane SCHEMBL28123213 | 0.91 | ALDH1A1 (0.41) | ALDH1A1CYP3A4 | |
| SCHEMBL11591853 | 0.90 | ALDH1A1 (0.65) | ALDH1A1CYP3A4 | |
| SCHEMBL7590793 | 0.88 | ALDH1A1 (0.42) | ALDH1A1CYP3A4 | |
| SCHEMBL11002872 | 0.87 | ALDH1A1 (0.38) | ALDH1A1CYP3A4 | |
| SCHEMBL7781627 | 0.84 | ALDH1A1 (0.42) | ALDH1A1CYP3A4 | |
| Cyclohexane SCHEMBL28222908 | 0.83 | ALDH1A1 (0.45) | ALDH1A1CYP3A4 |
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-6806340-B2 | TEXTILE AND LEATHER COVERINGS; NO MONOMER SEPARATION REQUIRED | BAYER AKTIENGESELLSCHAFT (DE) | 2004-10-19 | — | — | US | disclosed |
| US-20030032756-A1 | Polyurethane coatings, based on polyisocyanates containing uretdione and/or oxadiazinetrione groups | BAYER AKTIENGESELLSCHAFT (DE) | 2003-02-13 | — | — | US | disclosed |