Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19030214 | 0.83 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19VCAM1ALDH1A1 | |
| SCHEMBL19030436 | 0.78 | AKR1B1 (0.39) | CYP1A2CYP2C9CYP2C19VCAM1ALDH1A1 | |
| SCHEMBL19030430 | 0.77 | AKR1B1 (0.41) | CYP1A2CYP2C9CYP2C19VCAM1ALDH1A1 | |
| SCHEMBL19030794 | 0.77 | CYP1A2 (0.38) | CYP1A2CYP2C9CYP2C19VCAM1ALDH1A1 | |
| SCHEMBL19030448 | 0.77 | AKR1B1 (0.46) | CYP1A2CYP2C9CYP2C19VCAM1ALDH1A1 | |
| SCHEMBL19030687 | 0.77 | AKR1B1 (0.41) | CYP1A2CYP2C9CYP2C19VCAM1ALDH1A1 | |
| SCHEMBL19029918 | 0.77 | MAPT (0.46) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL19030352 | 0.76 | CYP1A2 (0.40) | CYP1A2CYP2C9CYP2C19VCAM1ALDH1A1 | |
| SCHEMBL19030238 | 0.75 | AKR1B1 (0.42) | CYP1A2CYP2C9CYP2C19VCAM1ALDH1A1 | |
| SCHEMBL23110710 | 0.72 | ALDH1A1 (0.36) | CYP1A2CYP2C9CYP2C19VCAM1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017108723-A2 | PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-29 | — | — | WO | disclosed |