Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 3/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | FASN | P49327 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.40 |
| ▸ | GHSR | Q92847 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11938472 | 0.91 | PKM (0.47) | PDK2RAB9APKMFASNCNR2 | |
| SCHEMBL5086341 | 0.83 | CNR2 (0.56) | PDK2NPC1PKMCNR2CNR1 | |
| SCHEMBL8819827 | 0.83 | PKM (0.59) | NPC1RAB9APKMFASNGHSR | |
| Water SCHEMBL11230571 | 0.82 | PKM (0.41) | PDK2RAB9APKMFASNCNR2 | |
| Water SCHEMBL11230570 | 0.82 | PKM (0.41) | PDK2RAB9APKMFASNCNR2 | |
| SCHEMBL5274067 | 0.82 | SRD5A2 (0.53) | PDK2NPC1PKMFASNGHSR | |
| SCHEMBL13873877 | 0.82 | PKM (0.41) | PDK2RAB9APKMFASNCNR2 | |
| SCHEMBL2844465 | 0.81 | RAB9A (0.43) | KCNH2NPC1RAB9ACNR2CNR1 | |
| Hydrochloric Acid SCHEMBL192384 | 0.81 | CDK9 (0.46) | MLNRPDK2 | |
| SCHEMBL26038800 | 0.81 | PDK2 (0.51) | PDK2PKMFASNCNR2CNR1 |
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 |