Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | RECQL | P46063 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL12074062 | 0.86 | NPC1 (0.54) | ALDH1A1LMNAMAPTKMT2ARECQL | |
| SCHEMBL2932722 | 0.84 | ALDH1A1 (0.49) | ALDH1A1LMNAMAPTKMT2ARECQL | |
| SCHEMBL30159613 | 0.82 | ALDH1A1 (0.79) | ALDH1A1LMNAMAPTKMT2ARECQL | |
| SCHEMBL2436211 | 0.82 | ALDH1A1 (0.79) | ALDH1A1LMNAMAPTKMT2ARECQL | |
| SCHEMBL30072726 | 0.81 | TDP1 (0.60) | ALDH1A1LMNAMAPTKMT2ARECQL | |
| SCHEMBL2735445 | 0.81 | ALDH1A1 (0.59) | ALDH1A1LMNAMAPTKMT2ARECQL | |
| SCHEMBL1141627 | 0.81 | TDP1 (0.60) | ALDH1A1LMNAMAPTKMT2ARECQL | |
| SCHEMBL14601545 | 0.81 | ALDH1A1 (0.63) | ALDH1A1LMNAMAPTKMT2ARECQL | |
| SCHEMBL10507215 | 0.81 | ALDH1A1 (0.77) | ALDH1A1LMNAMAPTKMT2ARECQL | |
| SCHEMBL10507211 | 0.81 | ALDH1A1 (0.77) | ALDH1A1LMNAMAPTKMT2ARECQL |
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-118324684-A | Antitumor compound and pharmaceutical composition and application thereof | 上海中医药大学 | 2024-07-12 | — | — | CN | disclosed |