Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Setogepram. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 known ✓ | Q9NQS5 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | PPARA | Q07869 | 4/20 | 0.49 |
| ▸ | PPARG | P37231 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.44 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.44 |
| ▸ | LPL | P06858 | 2/20 | 0.43 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| Setogepram SCHEMBL289216 | 0.87 | ALDH1A1 (0.69) | ALDH1A1HPGDHSD17B10PPARAPPARG | |
| Setogepram SCHEMBL29395927 | 0.87 | ALDH1A1 (0.69) | ALDH1A1HPGDHSD17B10PPARAPPARG | |
| Setogepram SCHEMBL19095289 | 0.86 | ALDH1A1 (0.67) | ALDH1A1HPGDHSD17B10PPARAPPARG | |
| SCHEMBL15199282 | 0.86 | ALDH1A1 (0.67) | ALDH1A1HPGDHSD17B10PPARAPPARG | |
| Setogepram SCHEMBL19095287 | 0.86 | ALDH1A1 (0.67) | ALDH1A1HPGDHSD17B10PPARAPPARG | |
| SCHEMBL28899619 | 0.86 | ALDH1A1 (0.67) | ALDH1A1HPGDHSD17B10PPARAPPARG | |
| SCHEMBL10963130 | 0.83 | ALDH1A1 (0.68) | ALDH1A1HPGDHSD17B10PPARAPPARG | |
| SCHEMBL288982 | 0.78 | PPARA (0.60) | ALDH1A1PPARAPPARGLPLLIPG | |
| SCHEMBL25173309 | 0.77 | MAPT (0.66) | ALDH1A1HSD17B10PPARAPPARGGPR84 | |
| SCHEMBL711512 | 0.77 | MAPT (0.66) | ALDH1A1HSD17B10PPARAPPARGGPR84 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107106526-A | For organize selfreparing and regeneration be substituted aromatic compounds and pharmaceutical composition | 普罗米蒂克医药SMT有限公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-106999456-A | substituted aromatic compounds and pharmaceutical composition for preventing and treating osteoporosis | 普罗米蒂克医药SMT有限公司 | 2017-08-01 | — | — | CN | disclosed |