Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPOX | P50336 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | TGM2 | P21980 | 2/20 | 0.46 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.45 |
| ▸ | F7 | P08709 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | F3 | P13726 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | S100A4 | P26447 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | LTK | P29376 | 1/20 | 0.40 |
| ▸ | GRK5 | P34947 | 1/20 | 0.40 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL20704216 | 1.00 | PPOX (0.55) | PPOXCES1TGM2AKR1A1AKR1B1 | |
| SCHEMBL30644266 | 0.80 | TDP2 (0.45) | CES1TGM2AKR1A1AKR1B1PARP1 | |
| SCHEMBL22904372 | 0.80 | TDP2 (0.45) | CES1TGM2AKR1A1AKR1B1PARP1 | |
| SCHEMBL2264085 | 0.77 | PKM (0.50) | PPOXCES1TGM2AKR1A1AKR1B1 | |
| SCHEMBL25467800 | 0.75 | GSK3B (0.50) | AKR1A1AKR1B1PARP1S100A4CHEK1 | |
| SCHEMBL2265588 | 0.73 | IDO1 (0.53) | CES1TGM2AKR1A1AKR1B1MAPT | |
| 4-Chloro-Phthalimide SCHEMBL658064 | 0.71 | PPOX (1.00) | PPOXCES1TGM2F7PARP1 | |
| 4-Chloro-Phthalimide SCHEMBL30932877 | 0.71 | PPOX (1.00) | PPOXCES1TGM2F7PARP1 | |
| SCHEMBL14992279 | 0.70 | PPOX (0.50) | PPOXCES1TGM2AKR1A1AKR1B1 | |
| 4-Chloro-Phthalimide SCHEMBL31268124 | 0.70 | PPOX (0.95) | PPOXCES1TGM2F7PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111094253-B | 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-one analogs | 里科瑞尔姆IP控股有限责任公司 | 2023-08-29 | — | — | CN | disclosed |