Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.61 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1494291 | 0.90 | ALDH1A1 (0.79) | ALDH1A1KMT2AMAPTCYP1A2CYP2C9 | |
| SCHEMBL4791620 | 0.83 | ALDH1A1 (0.69) | ALDH1A1KMT2AMAPTMEN1POLB | |
| SCHEMBL29200443 | 0.82 | ALDH1A1 (0.66) | ALDH1A1KMT2AMAPTMEN1POLB | |
| SCHEMBL14350894 | 0.80 | ALDH1A1 (0.69) | ALDH1A1TAS1R3TAS1R1KMT2AMAPT | |
| SCHEMBL20931218 | 0.80 | NPC1 (0.67) | ALDH1A1KMT2AMAPTKDM4EHSD17B10 | |
| SCHEMBL19427489 | 0.79 | MAPT (0.71) | ALDH1A1KMT2AMAPTHTTKDM4E | |
| SCHEMBL2092853 | 0.79 | ALDH1A1 (0.82) | ALDH1A1TAS1R3TAS1R1KMT2AMAPT | |
| SCHEMBL10852085 | 0.79 | ALDH1A1 (0.82) | ALDH1A1TAS1R3TAS1R1KMT2AMAPT | |
| SCHEMBL2092856 | 0.79 | ALDH1A1 (0.82) | ALDH1A1KMT2AMAPTCYP1A2CYP2C9 | |
| SCHEMBL29128744 | 0.79 | ALDH1A1 (0.76) | ALDH1A1KMT2AMAPTKDM4EGAA |
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-117658932-A | Amino dithioester derivative containing amide structural unit, and preparation method and application thereof | 郑州大学 | 2024-03-08 | — | — | CN | disclosed |