Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL2522149 | 0.82 | TSHR (0.44) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL9743499 | 0.81 | CA2 (0.41) | CA2GABRA1GABRB2ATMALDH1A1 | |
| SCHEMBL872872 | 0.79 | GABRA1 (0.43) | CA2GABRA1GABRB2ATMTRPA1 | |
| SCHEMBL20348677 | 0.79 | CA2 (0.44) | CA2GABRA1GABRB2ATMALDH1A1 | |
| SCHEMBL29233351 | 0.78 | CA2 (0.37) | CA2GABRA1GABRB2ATMTRPA1 | |
| SCHEMBL10342309 | 0.76 | TAAR1 (0.48) | CA2GABRA1GABRB2ATMTRPA1 | |
| SCHEMBL586805 | 0.76 | ALDH1A1 (0.41) | ALDH1A1TSHRTDP1 | |
| SCHEMBL6830000 | 0.76 | CA2 (0.71) | CA2GABRA1GABRB2ATMALDH1A1 | |
| SCHEMBL17051291 | 0.74 | ALDH1A1 (0.38) | CA2GABRA1GABRB2ATMALDH1A1 | |
| SCHEMBL3157499 | 0.74 | ALDH1A1 (0.60) | CA2GABRA1GABRB2ATMTRPA1 |
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-2017025701-A1 | CATALYSTS | QATAR FOUNDATION (QA) | 2017-02-16 | — | — | WO | disclosed |