Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL893597 | 0.87 | HTT (0.55) | ALDH1A1KMT2AHTTMEN1MAPT | |
| SCHEMBL4412916 | 0.87 | HTT (0.55) | ALDH1A1KMT2AHTTMEN1MAPT | |
| SCHEMBL6343638 | 0.87 | MAPT (0.55) | ALDH1A1KMT2AHTTMEN1MAPT | |
| SCHEMBL5049280 | 0.87 | MAPT (0.55) | ALDH1A1KMT2AHTTMEN1MAPT | |
| SCHEMBL8470601 | 0.80 | ALDH1A1 (0.68) | ALDH1A1KMT2AHTTMEN1CYP1A2 | |
| SCHEMBL808 | 0.79 | — | — | |
| SCHEMBL2287032 | 0.78 | MEN1 (0.54) | ALDH1A1KMT2AHTTMEN1CYP1A2 | |
| SCHEMBL4738437 | 0.78 | CES2 (0.60) | ALDH1A1KMT2AHTTMEN1POLB | |
| SCHEMBL10441411 | 0.78 | MAPT (0.75) | ALDH1A1KMT2AHTTMEN1CYP1A2 | |
| SCHEMBL7685490 | 0.78 | MAPT (0.75) | ALDH1A1KMT2AHTTMEN1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119118890-A | Alkenyl thioester compound and preparation method thereof | 吉林化工学院 | 2024-12-13 | — | — | CN | disclosed |
| CN-113429272-A | Aryl aldehyde ketone and synthetic method thereof | 杭州师范大学 | 2021-09-24 | — | — | CN | disclosed |