Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | PTPRA | P18433 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3638184 | 1.00 | GSK3B (0.48) | GSK3BSLC6A3SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL6510710 | 0.83 | CYP1A2 (0.53) | GSK3BSLC6A3SLC6A2SLC6A4ALDH1A1 | |
| Bromide SCHEMBL6278361 | 0.82 | CYP1A2 (0.51) | GSK3BSLC6A3SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL3767996 | 0.79 | SLC6A3 (0.52) | GSK3BSLC6A3SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL7719801 | 0.79 | ALDH1A1 (0.59) | GSK3BSLC6A3SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL11146589 | 0.78 | CYP2C19 (0.55) | GSK3BSLC6A3SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL75590 | 0.78 | KMT2A (0.47) | GSK3BSLC6A3SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL10170706 | 0.78 | KDM4E (0.53) | GSK3BSLC6A3SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL6638556 | 0.78 | SLC6A3 (0.50) | GSK3BSLC6A3SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL1685422 | 0.78 | KDM4E (0.53) | GSK3BSLC6A3SLC6A2SLC6A4ALDH1A1 |
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-2430018-A2 | BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS | Novartis AG (CH) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010130773-A2 | BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS | NOVARTIS AG (CH) | 2010-11-18 | — | — | WO | disclosed |