Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
| ▸ | QPCT | Q16769 | 1/20 | 0.39 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.39 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28288411 | 0.90 | DRD4 (0.43) | CYP19A1CYP11B1CYP11B2SIGMAR1 | |
| Bromide SCHEMBL28360122 | 0.88 | DRD4 (0.42) | CYP19A1CYP11B1CYP11B2SIGMAR1 | |
| Bromide SCHEMBL2531385 | 0.83 | SIGMAR1 (0.37) | CCNCCDK8CYP19A1CYP11B1CYP11B2 | |
| Pyridine SCHEMBL27430865 | 0.82 | CYP19A1 (0.44) | CCNCCDK8CYP19A1P2RX7CYP1A2 | |
| SCHEMBL28283766 | 0.82 | LMNA (0.49) | MAPTPOLBSIGMAR1NPSR1 | |
| Hydrochloric Acid SCHEMBL1647577 | 0.80 | DRD4 (0.39) | SIGMAR1 | |
| Bromide SCHEMBL30422921 | 0.80 | DRD4 (0.39) | SIGMAR1 | |
| Hydrochloric Acid SCHEMBL1647575 | 0.80 | DRD4 (0.39) | SIGMAR1 | |
| SCHEMBL16429033 | 0.78 | MAPT (0.50) | CYP3A4MAPTNPSR1 | |
| SCHEMBL1044027 | 0.78 | SIGMAR1 (0.52) | CYP19A1POLBSIGMAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910369-A1 | FUSED HETEROCYCLES AS LCK INHIBITORS | Astellas Pharma Inc. (JP) | 2008-04-16 | — | — | EP | claimed |
| WO-2007013673-A1 | FUSED HETEROCYCLES AS LCK INHIBITORS | ASTELLAS PHARMA INC. (JP) | 2007-02-01 | — | — | WO | claimed |
| CN-104797585-A | Aminoimidazopyridazines | Bayer Pharma AG | 2015-07-22 | — | — | CN | disclosed |