Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | NCEH1 | Q6PIU2 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28896606 | 1.00 | ALDH1A1 (0.45) | ALDH1A1AAK1CYP1A2NCEH1HPGD | |
| SCHEMBL19003377 | 0.86 | AAK1 (0.41) | ALDH1A1AAK1NCEH1LMNARECQL | |
| SCHEMBL30175909 | 0.86 | AAK1 (0.41) | ALDH1A1AAK1NCEH1LMNARECQL | |
| SCHEMBL16096043 | 0.84 | AAK1 (0.40) | ALDH1A1AAK1NCEH1LMNARECQL | |
| SCHEMBL30116140 | 0.81 | AAK1 (0.40) | ALDH1A1AAK1NCEH1LMNARECQL | |
| SCHEMBL20671184 | 0.81 | AAK1 (0.40) | ALDH1A1AAK1NCEH1LMNARECQL | |
| Methane SCHEMBL27428599 | 0.80 | POLB (0.40) | ALDH1A1AAK1CYP1A2NCEH1LMNA | |
| SCHEMBL28896469 | 0.80 | ALDH1A1 (0.41) | ALDH1A1HPGDTDP1TSHRBRD4 | |
| SCHEMBL4015276 | 0.79 | SIRT2 (0.43) | ALDH1A1AAK1NCEH1LMNANPC1 | |
| SCHEMBL27634058 | 0.79 | AAK1 (0.49) | ALDH1A1AAK1NCEH1KDM4EMAPT |
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-115403584-B | 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |