Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.31 |
| ▸ | RELA | Q04206 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8311266 | 0.88 | SLC6A2 (0.37) | SLC6A2PDK2 | |
| SCHEMBL8311974 | 0.87 | BACE1 (0.37) | SLC6A2MAPTALDH1A1 | |
| SCHEMBL8313637 | 0.87 | SLC6A2 (0.36) | SLC6A2NR3C1NPC1RAB9A | |
| SCHEMBL8310708 | 0.86 | SLC6A2 (0.40) | SLC6A2PDK2OPRM1OPRL1CYP1A2 | |
| SCHEMBL8314119 | 0.86 | HTR2B (0.38) | SLC6A2PDK2MAPTHTR1AHTR2B | |
| SCHEMBL8314935 | 0.85 | SCN9A (0.38) | SLC6A2PDK2MAPTNPSR1ALDH1A1 | |
| SCHEMBL8314947 | 0.85 | SLC6A2 (0.37) | SLC6A2MAPTNFKB1NFKB2RELA | |
| SCHEMBL8313905 | 0.85 | PDK2 (0.35) | SLC6A2PDK2ALDH1A1HPGDL3MBTL1 | |
| SCHEMBL8313766 | 0.85 | PDK2 (0.35) | SLC6A2PDK2OPRM1OPRL1 | |
| SCHEMBL8314864 | 0.85 | SLC6A2 (0.37) | SLC6A2NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0626954-B1 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1999-03-17 | — | — | EP | disclosed |
| US-5652252-A | POTASSIUM CHANNEL ACTIVATORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-07-29 | — | — | US | disclosed |
| US-5602152-A | POTASSIUM CHANNEL MODULATOR | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-02-11 | — | — | US | disclosed |
| WO-1994013658-A2 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1994-06-23 | — | — | WO | disclosed |