Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.39 |
| ▸ | SRC | P12931 | 4/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.38 |
| ▸ | MTOR | P42345 | 2/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6070124 | 0.76 | SRC (0.56) | HRH4HTR2CHTTMAPK1TP53 | |
| Hydrochloric Acid SCHEMBL7290518 | 0.74 | HRH4 (0.70) | HRH4HTTMAPK1TP53ADORA1 | |
| Hydrochloric Acid SCHEMBL7288861 | 0.72 | HRH4 (0.49) | HRH4HTTMAPK1TP53ADORA1 | |
| SCHEMBL29559859 | 0.72 | PDPK1 (0.54) | LMNAMAP3K5PDPK1 | |
| SCHEMBL5576430 | 0.72 | CDK2 (0.42) | ADORA2AADORA2BMAP3K5PDPK1 | |
| SCHEMBL325149 | 0.72 | PDPK1 (0.54) | LMNAMAP3K5PDPK1 | |
| SCHEMBL6533720 | 0.72 | DPP4 (0.51) | ADORA3MAP3K5PDPK1 | |
| SCHEMBL1030420 | 0.70 | HTT (0.76) | HRH4HTTMAPK1TP53SRC | |
| SCHEMBL7359070 | 0.69 | PRMT5 (0.47) | HRH4HTR2CHTTMAPK1TP53 | |
| SCHEMBL490903 | 0.69 | CDK2 (0.47) | HTTTP53ADORA1ADORA3LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0300726-B1 | PIPERAZINYL DERIVATES OF PURINES AND ISOSTERES THEREOF AS HYPOGLYCEMIC AGENTS | MERCK & CO. INC. (US) | 1993-09-22 | — | — | EP | disclosed |
| US-5057517-A | Piperazinyl derivatives of purines and isosteres thereof as hypoglycemic agents | MERCK & CO., INC. (US) | 1991-10-15 | — | — | US | disclosed |
| EP-0300726-A1 | Piperazinyl derivates of purines and isosteres thereof as hypoglycemic agents | MERCK & CO. INC. (US) | 1989-01-25 | — | — | EP | disclosed |