Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 2/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL1782618 | 0.97 | CYP1A2 (0.39) | CYP1A2SIGMAR1ALDH1A1MMP8MMP1 | |
| Cyclohexylamine SCHEMBL20703173 | 0.86 | EPHX1 (0.38) | CYP1A2ALDH1A1MMP8MMP1EPHX1 | |
| Cyclohexylamine SCHEMBL2067439 | 0.86 | CYP1A2 (0.42) | CYP1A2ALDH1A1MMP8MMP1GNAI3 | |
| Propylamine SCHEMBL8950138 | 0.86 | — | — | |
| Cyclohexylamine SCHEMBL2347732 | 0.85 | CYP1A2 (0.44) | CYP1A2SIGMAR1ALDH1A1EPHX1GNAI3 | |
| Cyclopentanamine SCHEMBL8188030 | 0.85 | DNM1 (0.42) | CYP1A2SIGMAR1ALDH1A1EPHX1GNAI3 | |
| Cyclohexylamine SCHEMBL28135465 | 0.83 | DNM1 (0.52) | CYP1A2SIGMAR1ALDH1A1EPHX1GNAI3 | |
| Cyclohexylamine SCHEMBL4447887 | 0.83 | SHBG (0.39) | CYP1A2ALDH1A1MMP8MMP1SHBG | |
| Cyclohexylamine SCHEMBL11686978 | 0.83 | SIGMAR1 (0.40) | SIGMAR1ALDH1A1EPHX1 | |
| Cyclohexylamine SCHEMBL28142444 | 0.83 | SIGMAR1 (0.40) | SIGMAR1ALDH1A1EPHX1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1680236-A | Preparation of perilla alcohol | HUANAN SCIENCE & ENGINEERING (CN) | 2005-10-12 | — | — | CN | disclosed |