Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | ALPG | P10696 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL77114 | 0.83 | ALDH1A1 (0.61) | CYP3A4ALDH1A1HPGDTDP1NOS3 | |
| SCHEMBL29471398 | 0.83 | ALDH1A1 (0.61) | CYP3A4ALDH1A1HPGDTDP1NOS3 | |
| SCHEMBL28149814 | 0.75 | GABRA1 (0.40) | CYP3A4CYP2D6 | |
| SCHEMBL28042659 | 0.75 | LMNA (0.50) | CYP3A4ALDH1A1LMNANPSR1MAPT | |
| SCHEMBL28182396 | 0.75 | LMNA (0.50) | CYP3A4ALDH1A1LMNANPSR1MAPT | |
| SCHEMBL8589834 | 0.73 | TDP1 (0.41) | CYP3A4ALDH1A1HPGDTDP1LMNA | |
| O-Xylene SCHEMBL28554571 | 0.73 | KEAP1 (0.40) | CYP3A4ALDH1A1NPSR1MIFTSHR | |
| SCHEMBL9795424 | 0.73 | ALDH1A1 (0.50) | CYP3A4ALDH1A1HPGDTDP1NOS3 | |
| SCHEMBL11756186 | 0.72 | CYP3A4 (0.44) | CYP3A4ALDH1A1HPGDTDP1LMNA | |
| SCHEMBL30631633 | 0.72 | CYP3A4 (0.44) | CYP3A4ALDH1A1HPGDTDP1LMNA |
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-115385973-B | Application of oligonucleotide-tetrahydrothiazole compounds in synthesis of gene coding compound library | 康龙化成(宁波)科技发展有限公司 | 2023-06-06 | — | — | CN | disclosed |