Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | BCL9 | O00512 | 1/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.45 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 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 | |
|---|---|---|---|---|
| SCHEMBL28998132 | 1.00 | ALDH1A1 (0.47) | ALDH1A1TDP1MAPTMEN1LMNA | |
| SCHEMBL11909062 | 0.95 | MAPT (0.46) | ALDH1A1TDP1MAPTMEN1LMNA | |
| SCHEMBL11909063 | 0.95 | MAPT (0.46) | ALDH1A1TDP1MAPTMEN1LMNA | |
| SCHEMBL909809 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TDP1MAPTMEN1LMNA | |
| SCHEMBL29282947 | 0.86 | MAPT (0.54) | ALDH1A1TDP1MAPTMEN1LMNA | |
| SCHEMBL1859542 | 0.86 | MAPT (0.50) | ALDH1A1MAPTLMNACRHBPCRHR2 | |
| SCHEMBL1068871 | 0.86 | MAPT (0.50) | ALDH1A1MAPTLMNACRHBPCRHR2 | |
| SCHEMBL3404534 | 0.86 | ALDH1A1 (0.41) | ALDH1A1TDP1LMNAL3MBTL1 | |
| Hydrochloric Acid SCHEMBL17707255 | 0.85 | ALDH1A1 (0.50) | ALDH1A1MAPTLMNACRHBPCRHR2 | |
| SCHEMBL6131701 | 0.85 | TSHR (0.49) | ALDH1A1MAPTLMNAMC4RMAOB |
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-114728914-B | Dioxopiperazine derivative, preparation method thereof and application thereof in medicines | 深圳信立泰药业股份有限公司 | 2023-05-12 | — | — | CN | disclosed |