Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 4/20 | 0.37 |
| ▸ | MMP13 | P45452 | 4/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 4/20 | 0.37 |
| ▸ | MMP1 | P03956 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27823826 | 0.96 | GPR88 (0.44) | ALDH1A1GPR88MAOAMAOBKDM4E | |
| SCHEMBL28885400 | 0.86 | ALDH1A1 (0.51) | ALDH1A1GPR88SMN1; SMN2PPARGPPARA | |
| SCHEMBL13162403 | 0.80 | MAOA (0.53) | ALDH1A1MAOAMAOBKDM4EHPGD | |
| SCHEMBL13162398 | 0.80 | MAOA (0.59) | MAOAMAOB | |
| SCHEMBL5089732 | 0.80 | MGLL (0.56) | ALDH1A1GPR88MGLLSMN1; SMN2 | |
| SCHEMBL28196047 | 0.79 | ABL1 (0.35) | KDM4EHPGDL3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL28365855 | 0.78 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDCYP1A2CYP2C19 | |
| SCHEMBL13162399 | 0.76 | MAOA (0.49) | ALDH1A1MAOAMAOBKDM4EHPGD | |
| SCHEMBL9059157 | 0.75 | KAT8 (0.55) | ALDH1A1GPR88PPARA | |
| SCHEMBL28884576 | 0.75 | ALDH1A1 (0.47) | ALDH1A1GPR88SMN1; SMN2PPARGPPARA |
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-107793387-B | Method for constructing dihydrobenzofuran framework compound by two C-H bonds through oxidative coupling | 北京大学 | 2020-01-31 | — | — | CN | disclosed |
| CN-107793387-A | The method of two C H push-tos peroxidating coupling structure Dihydrobenzofuranes framework compounds | 北京大学 | 2018-03-13 | — | — | CN | disclosed |