Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.32 |
| ▸ | PRNP | P04156 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14619935 | 0.86 | GPR3 (0.50) | GPR3CYP1A2CYP2D6HSD17B10CYP1A1 | |
| SCHEMBL31333143 | 0.66 | GPR3 (0.44) | GPR3ALDH1A1MAPTLMNAKDM4E | |
| SCHEMBL26737371 | 0.65 | GPR3 (0.55) | GPR3ALDH1A1MAPTLMNAKDM4E | |
| SCHEMBL144440 | 0.65 | GPR3 (0.55) | GPR3CYP1A2CYP2D6HSD17B10CYP1A1 | |
| SCHEMBL28154292 | 0.65 | ACHE (0.38) | CYP3A4TSHRALDH1A1MAPTTDP1 | |
| Ammonia Solution, Strong SCHEMBL28459123 | 0.64 | GPR3 (0.52) | GPR3CYP1A2CYP2D6HSD17B10CYP1A1 | |
| SCHEMBL12922043 | 0.63 | GPR3 (0.46) | GPR3CYP1A2CYP2D6HSD17B10CYP1A1 | |
| SCHEMBL9310785 | 0.62 | GPR3 (0.50) | GPR3CYP1A2CYP2D6HSD17B10CYP1A1 | |
| SCHEMBL13511901 | 0.62 | GPR3 (0.50) | GPR3CYP1A2CYP2D6HSD17B10CYP1A1 | |
| SCHEMBL3093060 | 0.62 | GPR3 (0.50) | GPR3ALDH1A1MAPTPRNPRXFP1 |
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-106916150-A | 1,3,4- oxadiazole -2- methylsulfanyl-benzothiazoles derivative, Preparation Method And The Use | 中国科学院上海药物研究所 | 2017-07-04 | — | — | CN | claimed |