Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 10/20 | 0.37 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.36 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 4/20 | 0.35 |
| ▸ | AURKA | O14965 | 3/20 | 0.35 |
| ▸ | MET | P08581 | 3/20 | 0.35 |
| ▸ | TEK | Q02763 | 3/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | LYN | P07948 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6806440 | 0.88 | PARP1 (0.52) | PARP1PKN1PKN2AURKBPLA2G2A | |
| SCHEMBL6591902 | 0.79 | PARP1 (0.41) | ALDH1A1MAPTRAB9AGFERPARP1 | |
| SCHEMBL6809771 | 0.73 | TGFBR1 (0.39) | PARP1KDRAURKAKDM4ERECQL | |
| SCHEMBL6806139 | 0.70 | IKBKB (0.52) | PARP1PKN1PKN2KDRAURKA | |
| SCHEMBL8648025 | 0.69 | PARP1 (0.67) | PARP1 | |
| SCHEMBL12517226 | 0.67 | ALDH1A1 (0.50) | ALDH1A1MAPTRAB9AGFERMEN1 | |
| SCHEMBL27464429 | 0.66 | PARP1 (0.46) | RAB9APARP1KDRAURKAKDM4E | |
| SCHEMBL6806425 | 0.64 | PARP1 (0.45) | ALDH1A1RAB9APARP1KDRAURKA | |
| SCHEMBL31053400 | 0.64 | PARP1 (0.67) | PARP1PKN2AURKBPLA2G2AALOX15 | |
| SCHEMBL7363580 | 0.63 | RAB9A (0.60) | ALDH1A1MAPTRAB9APARP1MEN1 |
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 |