Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | GRM1 | Q13255 | 10/20 | 0.41 |
| ▸ | GRM5 | P41594 | 9/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
| ▸ | GABRE | P78334 | 1/20 | 0.38 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22619206 | 1.00 | PDK4 (0.47) | PDK4GRM1GRM5CDK9PARP1 | |
| SCHEMBL19297241 | 0.89 | PDK4 (0.59) | PDK4GRM1GRM5SCN9ANAMPT | |
| SCHEMBL31530796 | 0.84 | GABRP (0.45) | PDK4GRM1GRM5CDK9GABRP | |
| SCHEMBL7948429 | 0.84 | GABRP (0.45) | PDK4GRM1GRM5CDK9GABRP | |
| SCHEMBL22619110 | 0.78 | PDK4 (0.47) | PDK4GRM1GRM5 | |
| SCHEMBL29337387 | 0.77 | DRD2 (0.51) | PARP1 | |
| SCHEMBL24330027 | 0.76 | MAPT (0.49) | PDK4GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL22619097 | 0.76 | RIPK2 (0.42) | PDK4CDK9NAMPTGABRPGABRD | |
| SCHEMBL23122865 | 0.75 | BRD4 (0.43) | PARP1 | |
| SCHEMBL22619049 | 0.75 | PDK4 (0.56) | PDK4GRM1GRM5PARP1SCN9A |
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-4031532-A1 | SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | Bial-R&D Investments, S.A. (PT) | 2022-07-27 | — | — | EP | disclosed |