Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 5/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | BAX | Q07812 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27210407 | 0.92 | ESR1 (0.55) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| SCHEMBL21191327 | 0.92 | ESR1 (0.55) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| SCHEMBL20763441 | 0.90 | ESR1 (0.53) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| SCHEMBL9331411 | 0.89 | MAPK1 (0.61) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| SCHEMBL19286607 | 0.85 | MAPK1 (0.56) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| SCHEMBL9332606 | 0.85 | MAPK1 (0.61) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| Sulfuric Acid SCHEMBL29415620 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| Phenol SCHEMBL27505051 | 0.81 | MAPK1 (0.77) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| Phenol SCHEMBL28126814 | 0.81 | CA4 (0.50) | ALDH1A1ALOX15ESR1ESR2CYP3A4 | |
| SCHEMBL27645509 | 0.81 | ESR1 (0.48) | ALDH1A1ESR1ESR2CYP3A4CA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105102422-B | Method for producing isocyanate | 旭化成株式会社 | 2018-01-09 | — | — | CN | disclosed |
| CN-107266338-A | The manufacture method of isocyanates | 旭化成株式会社 | 2017-10-20 | — | — | CN | disclosed |
| CN-103553972-B | Method for the preparation of n-substituted carbamic acid ester and method for the preparation of isocyanate using the n-substituted carbamic acid ester | 旭化成株式会社 | 2017-04-12 | — | — | CN | disclosed |
| CN-103588680-B | N-substituted carbamate conveying with and storage compositions and manufacture isocyanates method | 旭化成株式会社 | 2016-08-10 | — | — | CN | disclosed |