Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1414825 | 0.85 | OPRM1 (0.36) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL18268918 | 0.85 | OPRM1 (0.36) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL17487284 | 0.85 | OPRM1 (0.36) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL2292865 | 0.83 | — | — | |
| Methacrylic Acid SCHEMBL28263180 | 0.81 | OPRM1 (0.32) | OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL11316693 | 0.79 | MME (0.35) | MMETP53CYP2C19TSHRNFKB1 | |
| Methacrylic Acid SCHEMBL28565828 | 0.78 | OPRM1 (0.33) | OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL2295003 | 0.77 | — | — | |
| Cyclohexane SCHEMBL28259118 | 0.77 | TP53 (0.50) | TP53TSHRLMNAALDH1A1 | |
| SCHEMBL11140873 | 0.76 | KDM4E (0.34) | MMETP53CYP2C19TSHRNFKB1 |
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-104387270-A | 1-isopropylcyclohexanol methyl propionate and preparation method thereof | SHANGHAI B & C CHEMICAL CO LTD | 2015-03-04 | — | — | CN | claimed |
| CN-104387270-A | 1-isopropylcyclohexanol methyl propionate and preparation method thereof | SHANGHAI B & C CHEMICAL CO LTD | 2015-03-04 | — | — | CN | disclosed |