Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.35 |
| ▸ | GABRE | P78334 | 1/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.35 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.35 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23445208 | 0.82 | CA12 (0.43) | ALDH1A1KDM4EKMT2ASMN1; SMN2TSHR | |
| SCHEMBL22921097 | 0.82 | MAPK1 (0.44) | CYP1A2ALDH1A1KDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL23444611 | 0.79 | HTR2A (0.32) | ACMSD | |
| SCHEMBL22921151 | 0.77 | TPMT (0.35) | KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL22921094 | 0.75 | MAPK1 (0.39) | CYP1A2ALDH1A1KDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL22921086 | 0.72 | CA2 (0.36) | PPARGTSHRCA2 | |
| SCHEMBL22921161 | 0.72 | TPMT (0.31) | — | |
| SCHEMBL22927450 | 0.68 | ALDH1A1 (0.37) | ALDH1A1KDM4EKMT2AMEN1TSHR | |
| SCHEMBL23447094 | 0.68 | ALDH1A1 (0.34) | ALDH1A1KDM4EKMT2AMEN1TSHR | |
| SCHEMBL23446470 | 0.68 | MAPT (0.36) | CYP1A2ALDH1A1GABRA1GABRG2GABRB3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021103795-A1 | OXIDIZED RING BELT [8] AROMATIC HYDROCARBON DERIVATIVE AND PREPARATION METHOD THEREFOR | 清华大学 | 2021-06-03 | — | — | WO | disclosed |