Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL7355279 | 0.80 | CHRNB4 (0.53) | CHRNB4CHRNA3TRPA1TSHRSLC6A3 | |
| SCHEMBL961750 | 0.77 | SLC6A3 (0.53) | CHRNB4CHRNA3TRPA1TSHRSLC6A3 | |
| SCHEMBL961019 | 0.77 | SLC6A3 (0.57) | CHRNB4CHRNA3TRPA1TSHRSLC6A3 | |
| SCHEMBL13124077 | 0.76 | SLC6A3 (0.58) | CHRNB4CHRNA3TRPA1TSHRSLC6A3 | |
| SCHEMBL959762 | 0.76 | SLC6A3 (0.58) | CHRNB4CHRNA3TRPA1TSHRSLC6A3 | |
| SCHEMBL8317202 | 0.74 | CHRNB4 (0.44) | CHRNB4CHRNA3TRPA1TSHRSLC6A3 | |
| SCHEMBL8191324 | 0.73 | CHRNB4 (0.46) | CHRNB4CHRNA3SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL8319051 | 0.73 | CHRNB4 (0.43) | CHRNB4CHRNA3TRPA1TSHRSLC6A3 | |
| SCHEMBL493477 | 0.73 | CHRNB4 (0.46) | CHRNB4CHRNA3TRPA1TSHRSLC6A3 | |
| Hydrochloric Acid SCHEMBL2586181 | 0.71 | CHRNB4 (0.45) | CHRNB4CHRNA3SLC6A3SLC6A2SLC6A4 |
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-0923536-A1 | ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION | Pharmacia & Upjohn Aktiebolag (SE) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998004517-A1 | ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION | PHARMACIA & UPJOHN AB (SE) | 1998-02-05 | — | — | WO | disclosed |