Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 4/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL28614063 | 0.79 | CYP1A2 (0.44) | CYP19A1GAAKMT2AMEN1ALDH1A1 | |
| SCHEMBL28619622 | 0.79 | CYP19A1 (0.43) | CYP19A1GAAKMT2AMEN1ALDH1A1 | |
| SCHEMBL28607117 | 0.79 | MAOB (0.44) | CYP19A1MAOBKMT2AMEN1CYP1A2 | |
| SCHEMBL28414867 | 0.79 | ESR2 (0.53) | CYP19A1GAAMAOBALDH1A1HPGD | |
| SCHEMBL28611570 | 0.79 | LMNA (0.37) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL28609468 | 0.79 | ALDH1A1 (0.47) | CYP19A1ALDH1A1CYP1A2NPC1LMNA | |
| SCHEMBL8117184 | 0.77 | CYP1A2 (0.50) | CYP19A1KMT2AMEN1ALDH1A1CYP1A2 | |
| SCHEMBL28619619 | 0.77 | GPR3 (0.39) | ALDH1A1CYP1A2LMNATP53CYP3A4 | |
| SCHEMBL4423401 | 0.76 | ESR2 (0.57) | CYP19A1MAOBALDH1A1HPGDNPC1 | |
| SCHEMBL10970021 | 0.72 | GAA (0.46) | CYP19A1GAAMAOBELANEKMT2A |
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-109574818-B | Polysubstituted indanone derivative and preparation method thereof | 华侨大学 | 2021-08-03 | — | — | CN | disclosed |