Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 13/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20732647 | 0.82 | ACACB (0.39) | CDK1CDK2ACACBTDP1FFAR2 | |
| SCHEMBL16187539 | 0.82 | ACACB (0.39) | CDK1CDK2ACACBTDP1PDE4D | |
| SCHEMBL16190458 | 0.76 | ACACB (0.49) | ACACB | |
| SCHEMBL14326156 | 0.76 | PDPK1 (0.39) | — | |
| SCHEMBL22131921 | 0.74 | ACACB (0.49) | CDK1CDK2ACACBFFAR2 | |
| SCHEMBL23830402 | 0.72 | ACACB (0.45) | CDK1CDK2ACACBFFAR2 | |
| SCHEMBL20775322 | 0.71 | ACACB (0.44) | CDK1CDK2ACACBFFAR2 | |
| SCHEMBL23978006 | 0.71 | MAP3K7 (0.34) | — | |
| SCHEMBL15918782 | 0.71 | ACACB (0.39) | CDK2ACACBTDP1PDE4D | |
| SCHEMBL13058679 | 0.71 | CYP1A1 (0.39) | TDP1 |
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-2017102091-A1 | HETEROARYLBENZIMIDAZOLE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-06-22 | — | — | WO | disclosed |