Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.31 |
| ▸ | CHRNG | P07510 | 1/20 | 0.31 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | CHRND | Q07001 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetic Acid Methyl Ester SCHEMBL28071128 | 0.61 | ALDH1A1 (0.56) | SLC6A3 | |
| SCHEMBL25290950 | 0.58 | AR (0.53) | AKR1B1ADAMTS5 | |
| Acetic Acid SCHEMBL27478470 | 0.58 | CES2 (0.55) | HCAR3HCAR2SLC6A3 | |
| SCHEMBL25564135 | 0.57 | DRD2 (0.37) | HCAR3HCAR2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL25564311 | 0.56 | HDAC3 (0.37) | HCAR3HCAR2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL25564314 | 0.56 | HDAC3 (0.37) | HCAR3HCAR2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL25564232 | 0.56 | HDAC3 (0.37) | HCAR3HCAR2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL1995396 | 0.56 | CYP4F2 (0.69) | BACE1 | |
| SCHEMBL1960996 | 0.56 | CES2 (0.38) | HCAR3HCAR2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL10246211 | 0.55 | BACE1 (0.44) | HCAR3HCAR2APPBACE1 |
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-2134342-A2 | MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008112159-A2 | MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-09-18 | — | — | WO | disclosed |