Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.86 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | TTR | P02766 | 1/20 | 0.55 |
| ▸ | TDP2 | O95551 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.54 |
| ▸ | HTR2B | P41595 | 2/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HTR7 | P34969 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.54 |
| ▸ | PTPRC | P08575 | 2/20 | 0.53 |
| ▸ | PPARG | P37231 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3105349 | 1.00 | SRD5A2 (0.86) | SRD5A2SRD5A1CYP1A2ALDH1A1HPGD | |
| SCHEMBL29709873 | 1.00 | SRD5A2 (0.86) | SRD5A2SRD5A1CYP1A2ALDH1A1HPGD | |
| SCHEMBL28119578 | 0.98 | SRD5A2 (0.83) | SRD5A2SRD5A1CYP1A2ALDH1A1HPGD | |
| SCHEMBL503767 | 0.93 | SRD5A2 (1.00) | SRD5A2SRD5A1CYP1A2ALDH1A1HPGD | |
| SCHEMBL29460235 | 0.93 | SRD5A2 (1.00) | SRD5A2SRD5A1CYP1A2ALDH1A1HPGD | |
| SCHEMBL1647589 | 0.89 | SRD5A2 (0.79) | SRD5A2SRD5A1CYP1A2ALDH1A1HPGD | |
| SCHEMBL30976964 | 0.89 | SRD5A2 (0.79) | SRD5A2SRD5A1CYP1A2ALDH1A1HPGD | |
| SCHEMBL11884814 | 0.88 | SRD5A2 (0.73) | SRD5A2SRD5A1CYP1A2ALDH1A1HPGD | |
| Cyanide SCHEMBL11194392 | 0.88 | SRD5A2 (0.90) | SRD5A2SRD5A1CYP1A2ALDH1A1HPGD | |
| SCHEMBL27880216 | 0.88 | SRD5A2 (0.68) | SRD5A2SRD5A1CYP1A2ALDH1A1HPGD |
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-118515667-A | Method for synthesizing 3,7A-diazacyclohepta [ jk ] fluorene derivative | 山西医科大学 | 2024-08-20 | — | — | CN | disclosed |