Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 7/20 | 0.36 |
| ▸ | CTSD | P07339 | 5/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8311682 | 0.87 | BACE1 (0.36) | SCN9ABACE1CTSDPDK2SLC6A2 | |
| SCHEMBL8310494 | 0.85 | SCN9A (0.38) | SCN9ASLC6A2HTR1ARAB9ANPC1 | |
| SCHEMBL8316835 | 0.85 | SLC6A2 (0.39) | HTR2BSIGMAR1PDK2SLC6A2GAA | |
| SCHEMBL8311266 | 0.85 | SLC6A2 (0.37) | BACE1PDK2SLC6A2 | |
| SCHEMBL8311974 | 0.84 | BACE1 (0.37) | BACE1SLC6A2KMT2AALDH1A1MAPT | |
| SCHEMBL8313637 | 0.84 | SLC6A2 (0.36) | BACE1SLC6A2KMT2ARAB9ANPC1 | |
| SCHEMBL8310708 | 0.83 | SLC6A2 (0.40) | PDK2SLC6A2KMT2AHTR1ASMN1; SMN2 | |
| SCHEMBL8314119 | 0.83 | HTR2B (0.38) | BACE1CTSDHTR2BSIGMAR1HTR7 | |
| SCHEMBL8313766 | 0.82 | PDK2 (0.35) | PDK2SLC6A2 | |
| SCHEMBL8313905 | 0.82 | PDK2 (0.35) | BACE1PDK2SLC6A2KMT2ARAB9A |
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 |