Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | ELANE | P08246 | 8/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31050068 | 0.79 | KDM4E (0.37) | ALDH1A1HTTKMT2ATHRB | |
| SCHEMBL25393768 | 0.79 | KDM4E (0.37) | ALDH1A1HTTKMT2ATHRB | |
| SCHEMBL31050069 | 0.74 | ELANE (0.43) | ALDH1A1ELANEF2PLAUMEN1 | |
| SCHEMBL25392204 | 0.74 | ELANE (0.43) | ALDH1A1ELANEF2PLAUMEN1 | |
| SCHEMBL25394973 | 0.71 | THRB (0.32) | ALDH1A1THRB | |
| SCHEMBL29069622 | 0.70 | ABL1 (0.35) | KMT2A | |
| SCHEMBL30424683 | 0.70 | ABL1 (0.35) | KMT2A | |
| SCHEMBL25395095 | 0.69 | CCNE1 (0.33) | ALDH1A1PDE1APDE1BPDE1CTHRB | |
| SCHEMBL31050057 | 0.65 | CYP3A4 (0.40) | ALDH1A1LMNAPDE1APDE1BPDE1C | |
| SCHEMBL24997644 | 0.64 | ERAP2 (0.33) | ALDH1A1KMT2AGAASMN1; SMN2PDE1A |
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-118369323-A | Heterocyclic compounds as SHP2 inhibitors, compositions comprising the same, and methods of use thereof | 捷思英达控股有限公司 | 2024-07-19 | — | — | CN | disclosed |