Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ARG2 | P78540 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL3295095 | 0.79 | MAOB (0.48) | MAOBTRPA1CA1CA2ARG2 | |
| SCHEMBL4155331 | 0.79 | MAOB (0.48) | MAOBTRPA1CA1CA2ARG2 | |
| SCHEMBL27512612 | 0.75 | MAOB (0.48) | MAOBCA1CA2ARG2TAAR1 | |
| SCHEMBL27744807 | 0.75 | SLC6A2 (0.40) | MAOBTAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL27534639 | 0.74 | MAOB (0.52) | MAOBTRPA1CA1CA2ARG2 | |
| SCHEMBL1289345 | 0.74 | MAOB (0.52) | MAOBTRPA1CA1CA2ARG2 | |
| SCHEMBL28081332 | 0.72 | MAOB (0.44) | MAOBTRPA1CA1CA2ARG2 | |
| SCHEMBL27459959 | 0.72 | MAOB (0.44) | MAOBTRPA1CA1CA2ARG2 | |
| SCHEMBL3295725 | 0.72 | TRPA1 (0.46) | MAOBTRPA1CA1CA2ARG2 | |
| SCHEMBL8577158 | 0.71 | MAOB (0.48) | MAOBTRPA1CA1CA2ARG2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2288593-A1 | PROCESS FOR THE PREPARATION OF 3,4-EPOXY-2-AMINO-1-SUBSTITUTED BUTANE DERIVATIVES AND INTERMEDIATE COMPOUNDS THEREOF | Ranbaxy Laboratories Limited (IN) | 2011-03-02 | — | — | EP | disclosed |