Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.90 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.67 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | TYR | P14679 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPN | P05981 | 1/20 | 0.43 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrazine SCHEMBL28112820 | 0.97 | CA2 (0.85) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| Methylamine SCHEMBL27452203 | 0.95 | CA2 (0.90) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL38598 | 0.95 | CA2 (1.00) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL29614734 | 0.92 | CA2 (0.94) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL28924235 | 0.92 | CA2 (0.94) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL31622310 | 0.92 | CA2 (0.94) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| Methyl Alcohol SCHEMBL28909622 | 0.92 | CA2 (0.94) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL22444875 | 0.92 | CA2 (0.94) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL30027561 | 0.92 | CA2 (0.94) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL28473948 | 0.92 | CA2 (0.94) | CA2GABRA1GABRB2ALDH1A1TSHR |
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-2024380-A2 | SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS | Adenosine Therapeutics, LLC (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007136817-A2 | SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS | ADENOSINE THERAPEUTICS, LLC (US) | 2007-11-29 | — | — | WO | disclosed |