Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.36 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL27950270 | 0.91 | NR5A1 (0.39) | CHRM3NAAANR5A1CYP3A4KDM4E | |
| SCHEMBL27980941 | 0.90 | SLC6A2 (0.37) | CHRM3OPRM1NAAANR5A1CYP3A4 | |
| SCHEMBL27936075 | 0.85 | SLC6A2 (0.36) | OPRM1NAAANR5A1CYP3A4CYP1A2 | |
| SCHEMBL1834893 | 0.81 | SLC37A4 (0.38) | NAAANR5A2NR5A1 | |
| SCHEMBL27980678 | 0.80 | ESR1 (0.41) | OPRM1CYP3A4CYP1A2CYP2D6MEN1 | |
| SCHEMBL1837325 | 0.80 | SLC37A4 (0.38) | NAAANR5A2NR5A1 | |
| Phenol SCHEMBL27694034 | 0.76 | SIGMAR1 (0.53) | CHRM3OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL1837443 | 0.76 | SLC37A4 (0.38) | NAAAMEN1KMT2A | |
| SCHEMBL1835324 | 0.75 | TSHR (0.38) | NAAACTSKKMT2A | |
| SCHEMBL1840907 | 0.74 | SLC37A4 (0.39) | NAAAMEN1KMT2AHTR1A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |