Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL764889 | 0.78 | — | — | |
| SCHEMBL8282676 | 0.77 | TRPA1 (0.48) | TRPA1ATMCYP2A6CYP1A2TSHR | |
| SCHEMBL13830402 | 0.75 | CYP3A4 (0.59) | TSHRALDH1A1SMN1; SMN2KEAP1MAPT | |
| SCHEMBL21388394 | 0.75 | ALDH1A1 (0.48) | CYP2A6CYP1A2TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL23236680 | 0.73 | ALDH1A1 (0.40) | ATMCYP2A6CYP1A2TSHRACHE | |
| SCHEMBL40704 | 0.73 | — | — | |
| SCHEMBL5494561 | 0.73 | TRPA1 (0.61) | TRPA1ATMCYP2A6CYP1A2TSHR | |
| SCHEMBL3899110 | 0.72 | TRPA1 (0.38) | TRPA1ATMCYP2A6CYP1A2TSHR | |
| SCHEMBL12451134 | 0.72 | CYP1A2 (0.48) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| SCHEMBL29348059 | 0.70 | ALDH1A1 (0.35) | ALDH1A1 |
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-2010042473-A1 | BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS | SCHERING CORPORATION (US) | 2010-04-15 | — | — | WO | disclosed |