Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1D1 | P20393 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | BAD | Q92934 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1769827 | 0.90 | NR1D1 (0.42) | NR1D1CYP2C19NPEPPSALDH1A1KDM4E | |
| SCHEMBL4597401 | 0.86 | NR1D1 (0.40) | NR1D1CYP2C19KMT2A | |
| SCHEMBL16465009 | 0.85 | ACE (0.41) | — | |
| SCHEMBL18419573 | 0.83 | DPP8 (0.43) | NR1D1CYP2C19CTSB | |
| SCHEMBL18419569 | 0.83 | DPP8 (0.43) | NR1D1CYP2C19CTSB | |
| Hydrochloric Acid SCHEMBL17094853 | 0.82 | DPP8 (0.42) | NR1D1CYP2C19CTSB | |
| Hydrochloric Acid SCHEMBL17094851 | 0.82 | DPP8 (0.42) | NR1D1CYP2C19CTSB | |
| SCHEMBL16464883 | 0.80 | CHIA (0.44) | ALDH1A1KDM4E | |
| SCHEMBL16466185 | 0.79 | KDM4E (0.39) | KDM4EKMT2A | |
| SCHEMBL17062258 | 0.72 | SMN1; SMN2 (0.40) | KMT2A |
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-2906559-A1 | AZAINDOLINES | F. Hoffmann-La Roche AG (CH) | 2015-08-19 | — | — | EP | disclosed |
| WO-2014056871-A1 | AZAINDOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-04-17 | — | — | WO | disclosed |