Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 2/20 | 0.52 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 4/20 | 0.44 |
| ▸ | BAD | Q92934 | 4/20 | 0.44 |
| ▸ | PIM2 | Q9P1W9 | 4/20 | 0.44 |
| ▸ | FLT3 | P36888 | 3/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27961959 | 0.75 | PLK1 (0.65) | PLK1GAAPIM1BADPIM2 | |
| SCHEMBL28432850 | 0.72 | HDAC3 (0.46) | GPBAR1MAPK1ALDH1A1GAAHSD17B10 | |
| SCHEMBL9853590 | 0.72 | CYP3A4 (0.46) | GPBAR1MAPK1ALDH1A1GAAHSD17B10 | |
| SCHEMBL10989444 | 0.71 | PLK1 (0.64) | PLK1ALDH1A1GAAKDM4EMTNR1A | |
| Hydrochloric Acid SCHEMBL9853611 | 0.71 | CYP3A4 (0.45) | GPBAR1MAPK1ALDH1A1GAAHSD17B10 | |
| SCHEMBL1150424 | 0.70 | PLK1 (1.00) | PLK1ALDH1A1GAAPOLBSMN1; SMN2 | |
| SCHEMBL8191199 | 0.70 | PLK1 (1.00) | PLK1ALDH1A1GAAPOLBSMN1; SMN2 | |
| SCHEMBL6689471 | 0.70 | ALDH1A1 (0.64) | MAPK1ALDH1A1GAAHSD17B10MAPK8 | |
| SCHEMBL3135970 | 0.70 | NR4A1 (0.63) | MAPK1ALDH1A1PGRGAAPTGS1 | |
| SCHEMBL9853600 | 0.69 | PIN1 (0.56) | GPBAR1MAPK1ALDH1A1GAAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2152671-A1 | BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS | Prosidion Limited (GB) | 2010-02-17 | — | — | EP | disclosed |
| WO-2008142454-A1 | BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS | PROSIDION LIMITED (GB) | 2008-11-27 | — | — | WO | disclosed |