Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.31 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL19466599 | 0.90 | NAAA (0.34) | NAAACYP2C19HTTCHRM2CHRM4 | |
| SCHEMBL28605901 | 0.82 | NAAA (0.34) | NAAACYP2C19HTTCHRM2CHRM4 | |
| SCHEMBL19830971 | 0.81 | NAAA (0.40) | NAAACYP2C19HTTCHRM2CHRM4 | |
| SCHEMBL2452485 | 0.81 | NAAA (0.40) | NAAACYP2C19HTTCHRM2CHRM4 | |
| SCHEMBL20798246 | 0.81 | CYP3A4 (0.35) | CYP2C19HTTCHRM2CHRM4CHRM1 | |
| SCHEMBL21547578 | 0.80 | EPHX1 (0.61) | HTTEPHX1SMN1; SMN2 | |
| SCHEMBL27870934 | 0.79 | EPHX1 (0.36) | NAAACYP2C19HTTEPHX1 | |
| SCHEMBL27920972 | 0.79 | NAAA (0.40) | NAAACYP2C19HTTCHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL28770723 | 0.77 | NAAA (0.39) | NAAACYP2C19HTTCHRM2CHRM4 | |
| SCHEMBL17035439 | 0.77 | EPHX1 (0.38) | CHRM1EPHX1SMN1; SMN2CYP1A2 |
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-105837454-B | A kind of synthetic method of 3,3- difiuorocyclohexyls methylamine | 河南师范大学 | 2018-06-08 | — | — | CN | claimed |
| CN-105837454-A | Synthesis method of 3,3-difluorocyclohexyl methylamine | 河南师范大学 | 2016-08-10 | — | — | CN | claimed |
| CN-105837454-B | A kind of synthetic method of 3,3- difiuorocyclohexyls methylamine | 河南师范大学 | 2018-06-08 | — | — | CN | disclosed |
| CN-105837454-A | Synthesis method of 3,3-difluorocyclohexyl methylamine | 河南师范大学 | 2016-08-10 | — | — | CN | disclosed |