Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 6/20 | 0.45 |
| ▸ | TYK2 | P29597 | 1/20 | 0.45 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.45 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.45 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | ALKBH2 | Q6NS38 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6804734 | 0.90 | GRM2 (0.42) | GRM2ADORA2AADORA2BADORA1PARP1 | |
| SCHEMBL6810614 | 0.90 | MAP4K4 (0.52) | GRM2ADORA2AADORA2BADORA1PARP1 | |
| SCHEMBL6803965 | 0.82 | EPHX2 (0.55) | GRM2PARP1PARP2KCNH2MAP4K4 | |
| SCHEMBL6806394 | 0.82 | PARP1 (0.67) | PARP1PARP2DHODHMAP4K4PLK4 | |
| SCHEMBL3579908 | 0.81 | PARP1 (0.61) | PARP1PARP2DHODHNPC1HPGD | |
| SCHEMBL6807217 | 0.80 | JAK3 (0.42) | PARP1TYK2MAP4K4PLK4CHEK1 | |
| SCHEMBL6810590 | 0.76 | GRM2 (0.54) | GRM2PARP1NPC1MAPTRAB9A | |
| SCHEMBL6805042 | 0.75 | AURKA (0.57) | PARP1NPC1MAPTHPGDNFKB1 | |
| SCHEMBL6809996 | 0.74 | PKN1 (0.63) | PARP1PARP2DHODHMAPTHPGD | |
| SCHEMBL2149454 | 0.74 | PARP1 (0.63) | PARP1PARP2DHODHMAP4K4PLK4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6696437-B1 | Heterocyclically substituted benzimidazoles, the production and application thereof | ABBOTT GMBH & CO. KG (DE) | 2004-02-24 | — | — | US | disclosed |