Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.48 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.47 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | PAK4 | O96013 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | RET | P07949 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6375213 | 0.87 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2GABRA1GABRA3GABRB1 | |
| SCHEMBL9704059 | 0.85 | ADORA3 (0.55) | ALDH1A1SIRT2TARBP2ADORA3HPGD | |
| SCHEMBL6604320 | 0.85 | TSHR (0.48) | ALDH1A1SMN1; SMN2GABRA1GABRA3GABRB1 | |
| SCHEMBL30623229 | 0.85 | ADORA3 (0.55) | ALDH1A1SIRT2TARBP2ADORA3HPGD | |
| SCHEMBL9705717 | 0.84 | SIRT2 (0.44) | ALDH1A1SMN1; SMN2GABRA1GABRA3GABRB1 | |
| SCHEMBL16792659 | 0.83 | SIRT2 (0.50) | ALDH1A1SMN1; SMN2GABRA1GABRA3GABRB1 | |
| SCHEMBL9705656 | 0.81 | KDM4E (0.50) | ALDH1A1GABRA1GABRA3GABRB1GABRB2 | |
| SCHEMBL6705309 | 0.81 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2GABRA1GABRA3GABRB1 | |
| SCHEMBL880365 | 0.81 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2ADORA3HPGDGAA | |
| SCHEMBL11371536 | 0.81 | MAPT (0.48) | ALDH1A1SMN1; SMN2METGRK5CDK8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1020453-B1 | 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERIVATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH | KYORIN SEIYAKU KK (JP) | 2004-05-19 | — | — | EP | disclosed |
| US-6348461-B1 | CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2002-02-19 | — | — | US | disclosed |
| EP-1020453-A1 | 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERI VATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2000-07-19 | — | — | EP | disclosed |