Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.47 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | RORB | Q92753 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | DDR1 | Q08345 | 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 | |
|---|---|---|---|---|
| SCHEMBL10094415 | 0.89 | KCNA5 (0.47) | AKR1C3AKR1C2PTPN5CYP1A2CYP2C19 | |
| SCHEMBL25795027 | 0.88 | KIF11 (0.47) | AKR1C3AKR1C2PDE2APTGDR2 | |
| SCHEMBL21508375 | 0.88 | AKR1C3 (0.43) | AKR1C3AKR1C2PTPN5CYP1A2CYP2C19 | |
| SCHEMBL23479730 | 0.87 | PTPN5 (0.57) | AKR1C3AKR1C2PTPN5CYP1A2CYP2C19 | |
| SCHEMBL24910237 | 0.86 | PDE2A (0.45) | AKR1C3AKR1C2PDE2AHTR2AHTR2C | |
| SCHEMBL24910303 | 0.84 | CETP (0.40) | PTPN5CYP1A2CYP2C19PTGDR2ADORA2A | |
| SCHEMBL26382530 | 0.81 | PDE2A (0.41) | AKR1C3AKR1C2PDE2AHTR2BNOTUM | |
| SCHEMBL24910270 | 0.80 | PDE2A (0.46) | AKR1C3AKR1C2PDE2A | |
| SCHEMBL26383441 | 0.80 | PDE2A (0.46) | AKR1C3AKR1C2PDE2AHTR2AHTR2C | |
| SCHEMBL24910238 | 0.79 | NOTUM (0.47) | AKR1C3AKR1C2PTPN5CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4122934-A1 | ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE | Beijing Summer Sprout Technology Co., Ltd. (CN) | 2023-01-25 | — | — | EP | disclosed |