Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.39 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7436450 | 0.91 | TSPO (0.44) | CDC25BLMNAKDM4EALDH1A1HPGD | |
| SCHEMBL4908178 | 0.78 | KMT2A (0.48) | ATMLMNAKDM4EGAAALDH1A1 | |
| SCHEMBL7435756 | 0.74 | TSHR (0.54) | CDC25BLMNAKDM4EALDH1A1CYP1A2 | |
| SCHEMBL4914662 | 0.73 | SLC6A4 (0.50) | ATMLMNAKDM4EGAAALDH1A1 | |
| SCHEMBL8485493 | 0.71 | ALDH1A1 (0.44) | CDC25BATMKDM4EGAAALDH1A1 | |
| SCHEMBL622873 | 0.70 | ATM (0.47) | ATMKDM4EALDH1A1HPGDHTT | |
| SCHEMBL2492331 | 0.70 | CDC25B (0.44) | CDC25BATMLMNAKDM4EALDH1A1 | |
| SCHEMBL17197587 | 0.69 | CDC25B (0.50) | CDC25BATMLMNAKDM4EGAA | |
| SCHEMBL3930397 | 0.69 | TSPO (0.54) | LMNAKDM4EGAAALDH1A1HPGD | |
| SCHEMBL22532257 | 0.69 | ALDH1A1 (0.50) | KDM4EGAAALDH1A1HPGDHTT |
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-1670749-A1 | 2-SUBSTITUTED BENZOIC ACID DERIVATIVES AS HM74A RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005016870-A1 | 2-SUBSTITUTED BENZOIC ACID DERIVATIVES AS HM74A RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |