Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8650224 | 0.89 | MLYCD (0.48) | ALDH1A1HSD17B10TDP1TP53TSHR | |
| SCHEMBL31572047 | 0.87 | ALDH1A1 (0.69) | ALDH1A1HSD17B10TDP1TP53TSHR | |
| SCHEMBL9063291 | 0.87 | TP53 (0.49) | ALDH1A1HSD17B10TDP1TP53TSHR | |
| SCHEMBL11477348 | 0.87 | TP53 (0.49) | ALDH1A1HSD17B10TDP1TP53TSHR | |
| SCHEMBL11558611 | 0.87 | TP53 (0.49) | ALDH1A1HSD17B10TDP1TP53TSHR | |
| SCHEMBL31572051 | 0.84 | TAS1R3 (0.46) | ALDH1A1HSD17B10TDP1TP53TSHR | |
| SCHEMBL21917833 | 0.83 | STAT3 (0.54) | ALDH1A1TDP1CASP1SMN1; SMN2L3MBTL1 | |
| SCHEMBL10079180 | 0.83 | ALDH1A1 (0.65) | ALDH1A1HSD17B10TDP1TP53TSHR | |
| SCHEMBL22436202 | 0.81 | HCAR3 (0.49) | ALDH1A1HSD17B10TDP1TP53TSHR | |
| SCHEMBL10587361 | 0.78 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TDP1TP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025086591-A1 | ROTIGOTINE PRODRUG DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 烟台药物研究所 | 2025-05-01 | — | — | WO | disclosed |