Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | CSF1R | P07333 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | EIF2AK1 | Q9BQI3 | 3/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | CD38 | P28907 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18194325 | 0.68 | PIP4K2C (0.41) | PDE2ACSF1RPDE5AAPPJAK2 | |
| SCHEMBL22754157 | 0.67 | JAK2 (0.46) | PDE2ACSF1RCYP3A4CYP2C19HSD17B10 | |
| SCHEMBL2274362 | 0.65 | PIN1 (0.58) | CYP3A4 | |
| SCHEMBL18303504 | 0.65 | ESR1 (0.53) | LMNAPDE2ACYP3A4PDE5AAPP | |
| SCHEMBL18303147 | 0.65 | APP (0.60) | PDE5AAPP | |
| SCHEMBL19929868 | 0.63 | JAK2 (0.43) | EIF2AK1APPLCKBTKJAK2 | |
| SCHEMBL13906486 | 0.63 | HTT (0.44) | LMNAHSD17B10MAPT | |
| SCHEMBL2570362 | 0.63 | TAAR1 (0.46) | LMNACYP3A4CYP2C19MAPT | |
| SCHEMBL22261318 | 0.63 | JAK3 (0.63) | CYP3A4CD38JAK2JAK1JAK3 | |
| SCHEMBL463746 | 0.62 | CYP1A2 (0.43) | LMNAADRA2BCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3290420-A1 | PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF | Xiamen University (CN) | 2018-03-07 | — | — | EP | disclosed |