Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 2/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL861760 | 1.00 | TRPA1 (0.38) | TRPA1POLBEPHX2EPHX1MEN1 | |
| SCHEMBL2019181 | 0.76 | CTSK (0.33) | CTSK | |
| SCHEMBL13051375 | 0.76 | CTSK (0.33) | EPHX1ALOX15CTSK | |
| SCHEMBL24441870 | 0.75 | CYP2C9 (0.42) | MEN1KMT2ACTSK | |
| SCHEMBL14612334 | 0.74 | CTSK (0.32) | CTSK | |
| SCHEMBL15338780 | 0.73 | CTSK (0.33) | MEN1KMT2ARAB9ACTSK | |
| SCHEMBL7945239 | 0.72 | CTSK (0.38) | CTSK | |
| SCHEMBL23917859 | 0.72 | CTSK (0.32) | CTSK | |
| SCHEMBL24567754 | 0.71 | POLB (0.45) | TRPA1POLBEPHX2EPHX1MEN1 | |
| SCHEMBL18793674 | 0.71 | POLB (0.45) | TRPA1POLBEPHX2EPHX1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004113294-A1 | PROCESS AND INTERMEDIATES FOR THE PREPARATION OF (1R, 2S, 5S)-3-AZABICYCLO[3, 1, 0]HEXANE-2-CARBOXAMIDE, N-[3-AMINO-1-(CYCLOBUTYLMETHYL)-2, 3-DIOXOPROPYL] ]-3-[(2S)-2-[[[1, 1-DIMETHYLETHYL]AMINO]CARBONYLAMINO]-3, 3-DIMETHYL-1-OXOBUTYL]-6, 6-DIMETHYL | SCHERING CORPORATION (US) | 2004-12-29 | — | — | WO | disclosed |