Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL912417 | 0.86 | ALDH1A1 (0.44) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL30496687 | 0.86 | ALDH1A1 (0.44) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| Fluoride SCHEMBL27490122 | 0.84 | ALDH1A1 (0.42) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL29226974 | 0.72 | CYP1A2 (0.47) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL442152 | 0.72 | ALDH1A1 (0.52) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL31529058 | 0.72 | ALDH1A1 (0.52) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL21599112 | 0.72 | ALDH1A1 (0.50) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL30761764 | 0.71 | CYP2D6 (0.32) | ALDH1A1HPGDKMT2AMEN1KDM4E | |
| SCHEMBL31544305 | 0.71 | PPARG (0.40) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL5246333 | 0.70 | KMT2A (0.50) | ALDH1A1HPGDHSD17B10CYP3A4TSHR |
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-1785943-A | Conjugate derivative material of 9-phenyl-9-pyrenyl fluorene substituted pyrene its preparation method and application | UNIV FUDAN (CN) | 2006-06-14 | — | — | CN | disclosed |