Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8299878 | 0.89 | NPC1 (0.42) | MCHR1MAPTKMT2AAURKBKDM4E | |
| SCHEMBL14311682 | 0.83 | AURKA (0.43) | MCHR1KMT2AAURKBTSHRKDM4E | |
| SCHEMBL8302374 | 0.80 | KDM4E (0.34) | MCHR1AURKBKDM4EMAPK14AURKA | |
| SCHEMBL12304192 | 0.80 | AURKB (0.49) | LMNAMAPTHTTMEN1KMT2A | |
| SCHEMBL8302364 | 0.79 | HIF1A (0.47) | MCHR1MAPTAURKBALDH1A1GAA | |
| SCHEMBL8299908 | 0.78 | MCHR1 (0.32) | MCHR1AURKBAURKACDK1CCNB1 | |
| SCHEMBL12027127 | 0.78 | ADORA3 (0.35) | MCHR1HTTMEN1KMT2AALDH1A1 | |
| SCHEMBL8305625 | 0.77 | GAA (0.40) | MAPTTSHRALDH1A1GAAPOLB | |
| SCHEMBL8305595 | 0.77 | PARP1 (0.34) | MCHR1MAPTAURKBTSHRALDH1A1 | |
| SCHEMBL16471209 | 0.76 | MAPK14 (0.39) | MCHR1LMNAMAPTHTTMEN1 |
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-2005002552-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-01-13 | — | — | WO | disclosed |