Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.44 |
| ▸ | NAAA | Q02083 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | FABP7 | O15540 | 1/20 | 0.36 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | STS | P08842 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15565387 | 0.94 | EPHX1 (0.37) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL5622283 | 0.83 | EPHX1 (0.47) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL11776636 | 0.81 | EPHX1 (0.46) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL14759201 | 0.80 | EPHX1 (0.44) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL2220318 | 0.80 | KAT2B (0.36) | — | |
| Hydrochloric Acid SCHEMBL11683263 | 0.79 | EPHX1 (0.44) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL9863767 | 0.78 | EPHX1 (0.41) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL31562551 | 0.77 | EPHX1 (0.41) | EPHX1NAAAHTTCYP2C19CA12 | |
| Trimethylammonium SCHEMBL28173745 | 0.77 | EPHX1 (0.46) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL8493664 | 0.76 | NAAA (0.42) | EPHX1NAAAHTTCYP2C19CA12 |
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-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 |
| CN-1171862-C | Synthetic method for closed isocyanate containing alpha-olefinic bond | 中国科学院长春应用化学研究所 | 2004-10-20 | — | — | CN | disclosed |
| CN-1326927-A | Synthetic method for closed isocyanate containing alpha-olefinic bond | CHANGCHUN APPLIED CHEMISTRY (CN) | 2001-12-19 | — | — | CN | disclosed |