Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18930812 | 0.80 | HSD17B1 (0.52) | HSP90AA1PDK1PDK2PDK3PDK4 | |
| SCHEMBL5085914 | 0.77 | NR1H4 (0.41) | MAPK1NPC1RAB9AMAPTESR2 | |
| SCHEMBL5083887 | 0.77 | NR1H4 (0.41) | MAPK1NPC1RAB9AMAPTESR2 | |
| SCHEMBL5085579 | 0.75 | OPRK1 (0.45) | TSHRGAASLC6A4SLC6A3 | |
| SCHEMBL13841215 | 0.72 | FASN (0.45) | HSP90AA1PDK1PDK2PDK3PDK4 | |
| SCHEMBL16823328 | 0.72 | KCNA5 (0.52) | SLC18A3MAPK1NPC1RAB9ATRPM8 | |
| SCHEMBL31299890 | 0.72 | EPHX2 (0.57) | ALDH1A1HTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL12534115 | 0.71 | HSP90AA1 (0.58) | HSP90AA1PDK1PDK2PDK3PDK4 | |
| SCHEMBL9001877 | 0.71 | PKM (0.58) | ALDH1A1HTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL5827771 | 0.71 | SLC18A3 (0.42) | SLC18A3HTTMAPK1SMN1; SMN2NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1976513-A2 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | Sepracor, Inc. (US) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007081857-A2 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SEPRACOR INC. (US) | 2007-07-19 | — | — | WO | disclosed |