Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MASP2 | O00187 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | HPD | P32754 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | NFKBIA | P25963 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31053862 | 1.00 | GAA (0.45) | GAAALDH1A1KDM4EMAPTMEN1 | |
| SCHEMBL31053833 | 0.79 | ALDH1A1 (0.42) | GAAALDH1A1KDM4EMAPTMEN1 | |
| SCHEMBL25027174 | 0.79 | ALDH1A1 (0.42) | GAAALDH1A1KDM4EMAPTMEN1 | |
| SCHEMBL12205180 | 0.75 | HTR6 (0.36) | GAAALDH1A1KDM4EMAPTMEN1 | |
| SCHEMBL31053823 | 0.74 | ALDH1A1 (0.53) | GAAALDH1A1KDM4EMAPTMEN1 | |
| SCHEMBL25027343 | 0.74 | ALDH1A1 (0.53) | GAAALDH1A1KDM4EMAPTMEN1 | |
| SCHEMBL2483950 | 0.72 | HTR6 (0.62) | ALDH1A1MAPTMAPK1CYP1A2CYP2C19 | |
| SCHEMBL11034746 | 0.72 | TDP1 (0.53) | MAPTMEN1KMT2AMASP2F2 | |
| SCHEMBL1725269 | 0.71 | CA12 (0.55) | KDM4EMAPTHIF1A | |
| SCHEMBL996297 | 0.71 | ALDH1A1 (0.58) | GAAALDH1A1KDM4EMAPTMEN1 |
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-2023016518-A1 | HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2023-02-16 | — | — | WO | disclosed |