Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25795874 | 0.76 | ALDH1A1 (0.34) | ALDH1A1ESR1ESR2 | |
| SCHEMBL27315296 | 0.76 | DPP4 (0.43) | ALDH1A1 | |
| SCHEMBL27614540 | 0.74 | ESR1 (0.35) | ALDH1A1ESR1ESR2 | |
| SCHEMBL17473181 | 0.74 | TSHR (0.40) | ALDH1A1 | |
| SCHEMBL7062454 | 0.71 | ESR1 (0.36) | ESR1ESR2 | |
| SCHEMBL27355945 | 0.70 | POLB (0.36) | ALDH1A1ESR1 | |
| SCHEMBL16323153 | 0.68 | — | — | |
| SCHEMBL4413629 | 0.67 | ESR1 (0.45) | ALDH1A1ESR1ESR2 | |
| SCHEMBL31488130 | 0.66 | PKM (0.33) | — | |
| SCHEMBL11733763 | 0.65 | ALDH1A1 (0.44) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102471244-B | Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound | ASAHI CHEMICAL CORP | 2014-09-24 | — | — | CN | disclosed |
| CN-103588680-A | Composition for transfer and storage of N-substituted carbamic acid ester and isocyanate production method | ASAHI KASEI CHEMICALS CORP | 2014-02-19 | — | — | CN | disclosed |
| CN-103553972-A | Method for the preparation of n-substituted carbamic acid ester and method for the preparation of isocyanate using the n-substituted carbamic acid ester | ASAHI KASEI CHEMICALS CORP | 2014-02-05 | — | — | CN | disclosed |
| CN-103097348-A | Process for producing carbonyl compounds | ASAHI KASEI CHEMICALS CORP (JP) | 2013-05-08 | — | — | CN | disclosed |
| CN-102471244-A | Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound | ASAHI KASEI CHEMICALS CORP (JP) | 2012-05-23 | — | — | CN | disclosed |