Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | PKM | P14618 | 5/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 5/20 | 0.41 |
| ▸ | POLB | P06746 | 4/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 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 | |
|---|---|---|---|---|
| SCHEMBL6807461 | 0.80 | PARP1 (0.60) | PARP1PLK4MAP4K4PRKXROCK1 | |
| SCHEMBL6806365 | 0.78 | PARP1 (0.54) | PARP1PLK4CHEK1AURKADAPK3 | |
| SCHEMBL6805352 | 0.76 | PARP1 (0.44) | PARP1PLK4CHEK1AURKADAPK3 | |
| SCHEMBL871830 | 0.76 | PARP1 (0.58) | PARP1HSD17B10PLK4CHEK1AURKA | |
| SCHEMBL29696369 | 0.75 | NPC1 (0.53) | PARP1NPC1RAB9A | |
| SCHEMBL3579908 | 0.75 | PARP1 (0.61) | ALDH1A1KDM4EPARP1PLK4MAP4K4 | |
| SCHEMBL6805212 | 0.75 | PARP1 (0.39) | ALDH1A1PARP1PLK4CHEK1AURKA | |
| SCHEMBL17048129 | 0.74 | KDM4E (0.56) | ALDH1A1KDM4EPKMPARP1HSD17B10 | |
| SCHEMBL6805349 | 0.73 | PARP1 (0.42) | PARP1PLK4CHEK1AURKADAPK3 | |
| SCHEMBL6807486 | 0.73 | AURKA (0.38) | ALDH1A1KDM4EPARP1USP2HSD17B10 |
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 |