Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.67 |
| ▸ | HTR2A | P28223 | 2/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 2/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.57 |
| ▸ | TACR2 | P21452 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | SHBG | P04278 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.57 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.57 |
| ▸ | HTR2C | P28335 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL27692859 | 1.00 | KCNH2 (0.67) | KCNH2HTR2ASIGMAR1MAOAESR1 | |
| Methylamine SCHEMBL27596716 | 1.00 | KCNH2 (0.67) | KCNH2HTR2ASIGMAR1MAOAESR1 | |
| Methylamine SCHEMBL27712583 | 1.00 | KCNH2 (0.67) | KCNH2HTR2ASIGMAR1MAOAESR1 | |
| Methylamine SCHEMBL6014456 | 0.98 | KCNH2 (0.63) | KCNH2HTR2ASIGMAR1MAOAESR1 | |
| Decane SCHEMBL8740719 | 0.95 | KCNH2 (0.71) | KCNH2HTR2ASIGMAR1MAOAESR1 | |
| SCHEMBL175633 | 0.95 | KCNH2 (0.71) | KCNH2HTR2ASIGMAR1MAOAESR1 | |
| SCHEMBL10995503 | 0.95 | KCNH2 (0.71) | KCNH2HTR2ASIGMAR1MAOAESR1 | |
| SCHEMBL210629 | 0.95 | KCNH2 (0.71) | KCNH2HTR2ASIGMAR1MAOAESR1 | |
| SCHEMBL4465463 | 0.95 | KCNH2 (0.71) | KCNH2HTR2ASIGMAR1MAOAESR1 | |
| SCHEMBL11231313 | 0.95 | KCNH2 (0.71) | KCNH2HTR2ASIGMAR1MAOAESR1 |
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-106397217-A | Method for synthesizing dextral alpha-cyclohexylbenzylamine | 王际菊 | 2017-02-15 | — | — | CN | disclosed |