Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 8/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.44 |
| ▸ | BCHE | P06276 | 6/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL14180221 | 0.80 | ESR1 (0.45) | ACHEPTGS2BCHENPC1RAB9A | |
| SCHEMBL6948598 | 0.79 | ACHE (0.44) | ACHEPTGS2BCHENPC1RAB9A | |
| SCHEMBL5729060 | 0.77 | ACHE (0.43) | ACHEPTGS2BCHENPC1RAB9A | |
| SCHEMBL5796026 | 0.76 | PTGS2 (0.47) | ACHEPTGS2BCHENPC1RAB9A | |
| SCHEMBL4738416 | 0.76 | ACHE (0.50) | ACHEPTGS2BCHENPC1RAB9A | |
| SCHEMBL6950669 | 0.74 | ACHE (0.40) | ACHEPTGS2BCHENPC1RAB9A | |
| SCHEMBL2235768 | 0.73 | ACHE (0.45) | ACHEPTGS2BCHEESR1 | |
| SCHEMBL6951557 | 0.73 | ACHE (0.49) | ACHEPTGS2BCHE | |
| SCHEMBL6394314 | 0.73 | PTGS2 (0.57) | ACHEPTGS2BCHENPC1RAB9A | |
| SCHEMBL16407983 | 0.72 | CYP4A11 (0.46) | ACHEPTGS2BCHEESR1 |
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-1720836-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005082859-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2005-09-09 | — | — | WO | disclosed |