Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 5/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | MT-ND4 | P03905 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | P4HB | P07237 | 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 | |
|---|---|---|---|---|
| SCHEMBL8314935 | 0.85 | SCN9A (0.38) | SCN9ASLC6A2HTR1AALDH1A1LMNA | |
| SCHEMBL8313558 | 0.85 | SLC6A2 (0.38) | SCN9ASLC6A2 | |
| SCHEMBL8316027 | 0.84 | SCN9A (0.40) | SCN9ASLC6A2 | |
| SCHEMBL8311725 | 0.82 | SLC6A2 (0.36) | SLC6A2 | |
| SCHEMBL8310708 | 0.82 | SLC6A2 (0.40) | SLC6A2HTR1AHPGDSMN1; SMN2 | |
| SCHEMBL8316835 | 0.81 | SLC6A2 (0.39) | SLC6A2HTR1AALDH1A1LMNACYP3A4 | |
| SCHEMBL8311266 | 0.81 | SLC6A2 (0.37) | SLC6A2 | |
| SCHEMBL8315996 | 0.81 | SLC6A2 (0.35) | SCN9ASLC6A2 | |
| SCHEMBL8314947 | 0.81 | SLC6A2 (0.37) | SCN9ASLC6A2LMNAMAPTNPC1 | |
| SCHEMBL8314123 | 0.81 | SLC6A2 (0.37) | SCN9ASLC6A2LMNA |
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 |