Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 15/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 12/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5308798 | 0.78 | SLC6A4 (0.38) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL3521363 | 0.76 | SLC6A4 (1.00) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL10545115 | 0.74 | SLC6A4 (0.41) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL5310388 | 0.73 | SLC6A4 (0.40) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL3516240 | 0.71 | SLC6A4 (1.00) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL3516278 | 0.71 | SLC6A4 (1.00) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL13253956 | 0.71 | SLC6A4 (1.00) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL3517967 | 0.70 | KCNH2 (1.00) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL28506507 | 0.68 | PDE7A (0.41) | SLC6A4CYP2D6GRIN1GRIN2AOPRK1 | |
| SCHEMBL17666356 | 0.68 | HDAC4 (0.41) | SLC6A4SLC6A3CYP2D6GRIN1GRIN2A |
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 |