Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 4/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18793782 | 1.00 | ADRA2A (0.42) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL375325 | 1.00 | ADRA2A (0.42) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL17963769 | 0.84 | ADRA2A (0.40) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL593086 | 0.83 | ESR1 (0.46) | TSHRCYP1A2GABRA1GABRG2GABRB3 | |
| SCHEMBL27391011 | 0.81 | TSHR (0.52) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL20738578 | 0.80 | GABRA1 (0.39) | ADRA2AADRA2BADRA2CTSHRCYP1A2 | |
| SCHEMBL9558664 | 0.79 | ADRA2A (0.42) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL25303539 | 0.79 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL16952251 | 0.78 | TRPA1 (0.40) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL29337470 | 0.78 | TRPA1 (0.40) | ADRA2AADRA2BADRA2CADRA1AADRA1B |
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-2010105770-A1 | SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-09-23 | — | — | WO | disclosed |