Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | POLQ | O75417 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 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 | |
|---|---|---|---|---|
| SCHEMBL8315208 | 0.92 | TRPV3 (0.35) | TRPV3SLC6A2HSD11B1PDK2 | |
| SCHEMBL8314342 | 0.91 | TRPV3 (0.43) | TRPV3SLC6A2HSD11B1POLQALDH1A1 | |
| SCHEMBL8311266 | 0.86 | SLC6A2 (0.37) | TRPV3SLC6A2BACE1PDK2 | |
| SCHEMBL8311682 | 0.84 | BACE1 (0.36) | TRPV3SLC6A2BACE1PDK2SCN9A | |
| SCHEMBL8316835 | 0.84 | SLC6A2 (0.39) | SLC6A2PDK2NPC1RAB9AALDH1A1 | |
| SCHEMBL8313637 | 0.83 | SLC6A2 (0.36) | SLC6A2BACE1NPC1RAB9A | |
| SCHEMBL8311974 | 0.83 | BACE1 (0.37) | SLC6A2BACE1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL8310708 | 0.82 | SLC6A2 (0.40) | SLC6A2PDK2SMN1; SMN2 | |
| SCHEMBL8314119 | 0.82 | HTR2B (0.38) | SLC6A2BACE1PDK2NPC1RAB9A | |
| SCHEMBL8316027 | 0.82 | SCN9A (0.40) | TRPV3SLC6A2BACE1SCN9A |
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 3 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-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 |