Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5083887 | 1.00 | NR1H4 (0.41) | NR1H4UTS2RSLC6A3SLC6A4NPC1 | |
| SCHEMBL9001802 | 0.83 | NR1H4 (0.53) | NR1H4L3MBTL1KDM4EMAPTMAPK1 | |
| SCHEMBL5085579 | 0.79 | OPRK1 (0.45) | UTS2RSLC6A3SLC6A4SIGMAR1GAA | |
| SCHEMBL5090604 | 0.77 | HSP90AA1 (0.45) | SLC6A3SLC6A4NPC1RAB9AESR2 | |
| SCHEMBL1137614 | 0.72 | PDK2 (0.47) | NPC1RAB9AL3MBTL1ESR1ESR2 | |
| SCHEMBL9001877 | 0.72 | PKM (0.58) | NPC1RAB9AKDM4ELMNAFAAH | |
| SCHEMBL1695083 | 0.72 | ACHE (0.46) | NPC1RAB9AL3MBTL1ESR1ESR2 | |
| SCHEMBL14385153 | 0.71 | PLAU (0.45) | NPC1RAB9AL3MBTL1ESR1ESR2 | |
| SCHEMBL2097822 | 0.68 | LMNA (0.45) | SLC6A3SLC6A4NPC1RAB9AL3MBTL1 | |
| SCHEMBL28746540 | 0.68 | MLYCD (0.46) | NPC1RAB9AL3MBTL1ESR1ESR2 |
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 |