Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 6/20 | 0.34 |
| ▸ | NOS3 | P29474 | 5/20 | 0.34 |
| ▸ | NOS1 | P29475 | 5/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9954476 | 0.82 | ALDH1A1 (0.54) | ALDH1A1MAPTPTGS1TSHRSLC7A5 | |
| SCHEMBL1009125 | 0.82 | ALDH1A1 (0.54) | ALDH1A1MAPTPTGS1TSHRSLC7A5 | |
| SCHEMBL11848713 | 0.82 | ALDH1A1 (0.54) | ALDH1A1MAPTPTGS1TSHRSLC7A5 | |
| SCHEMBL2270822 | 0.77 | ALDH1A1 (0.48) | ALDH1A1MAPTPTGS1TSHRSLC7A5 | |
| SCHEMBL30621982 | 0.77 | ALDH1A1 (0.54) | ALDH1A1MAPTPTGS1TSHRSLC7A5 | |
| SCHEMBL8982557 | 0.76 | ALDH1A1 (0.48) | ALDH1A1MAPTPTGS1TSHRSLC7A5 | |
| SCHEMBL8982556 | 0.76 | ALDH1A1 (0.48) | ALDH1A1MAPTPTGS1TSHRSLC7A5 | |
| SCHEMBL254738 | 0.76 | — | — | |
| SCHEMBL223813 | 0.76 | — | — | |
| SCHEMBL223812 | 0.76 | — | — |
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-116903622-A | Amino acid modified tetracyclic compound capable of selectively inhibiting PAF, preparation and application thereof | 首都医科大学 | 2023-10-20 | — | — | CN | disclosed |