Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | CD44 | P16070 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL144551 | 0.97 | — | — | |
| SCHEMBL1317463 | 0.93 | CYP2A6 (0.47) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL26611237 | 0.85 | ALDH1A1 (0.46) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL27426491 | 0.83 | CYP2A6 (0.39) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL10715263 | 0.81 | CYP2A6 (0.43) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL29366968 | 0.81 | — | — | |
| SCHEMBL14127536 | 0.81 | — | — | |
| SCHEMBL28351 | 0.81 | — | — | |
| SCHEMBL1572345 | 0.81 | CES2 (0.46) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| Phosphoric Acid SCHEMBL27908690 | 0.81 | ALDH1A1 (0.42) | CYP2A6CYP1A2ACHETSHRALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008156656-A2 | METHOD FOR MAKING BIARYL COMPOUNDS, COMPOUNDS MADE BY THE METHOD, AND METHOD FOR THEIR USE | STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) | 2008-12-24 | — | — | WO | disclosed |