Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TLR4 | O00206 | 1/20 | 0.36 |
| ▸ | TLR2 | O60603 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28338591 | 1.00 | FBP1 (0.46) | FBP1ALDH1A1HPGDMAOAMAOB | |
| SCHEMBL1569597 | 0.79 | FBP1 (0.53) | FBP1ALDH1A1HPGDMAOAMAOB | |
| SCHEMBL1800273 | 0.79 | FBP1 (0.53) | FBP1ALDH1A1HPGDMAOAMAOB | |
| SCHEMBL9358085 | 0.78 | ALDH1A1 (0.39) | FBP1ALDH1A1HPGDCYP2C19LMNA | |
| SCHEMBL1802306 | 0.74 | FBP1 (0.57) | FBP1ALDH1A1HPGDMAOAMAOB | |
| SCHEMBL1570208 | 0.74 | FBP1 (0.57) | FBP1ALDH1A1HPGDMAOAMAOB | |
| SCHEMBL28339042 | 0.73 | FBP1 (0.42) | FBP1ALDH1A1MAPTKMT2AMAPK1 | |
| SCHEMBL28339043 | 0.73 | FBP1 (0.42) | FBP1ALDH1A1MAPTKMT2AMAPK1 | |
| SCHEMBL28528040 | 0.73 | ALDH1A1 (0.44) | ALDH1A1HPGDCYP2C19LMNAMAPT | |
| SCHEMBL4224770 | 0.69 | CES2 (0.41) | ALDH1A1HPGDCYP2C19MAPTCYP1A2 |
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-110452205-A | A kind of preparation method for constructing 3- methene base -3,4- dihydrocoumarin framework compound | UNIV TIANJIN AGRICULTURAL | 2019-11-15 | — | — | CN | disclosed |