Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.39 |
| ▸ | PARP1 | P09874 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL2782521 | 0.87 | KDR (0.44) | CHEK1PARP1KDRKCNH2 | |
| SCHEMBL3062940 | 0.84 | CHEK1 (0.43) | CHEK1PARP1KDR | |
| SCHEMBL2779709 | 0.83 | CHEK1 (0.53) | CHEK1PARP1POLBKDR | |
| SCHEMBL3064920 | 0.83 | PARP1 (0.48) | CHEK1PARP1KDR | |
| SCHEMBL2779985 | 0.79 | KDR (0.46) | CHEK1PARP1KDRKCNH2 | |
| SCHEMBL2800496 | 0.79 | NPC1 (0.52) | CHEK1PARP1KDR | |
| SCHEMBL2780197 | 0.78 | KDR (0.45) | CHEK1PARP1KDRKCNH2 | |
| SCHEMBL2781187 | 0.77 | KDR (0.41) | CHEK1PARP1KDRKCNH2 | |
| SCHEMBL2796526 | 0.75 | PARP1 (0.39) | CHEK1PARP1 | |
| SCHEMBL647422 | 0.74 | PARP1 (0.49) | ACHEPARP1KDR |
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-2010077663-A2 | SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2010-07-08 | — | — | WO | disclosed |