Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30900891 | 1.00 | ALDH1A1 (0.48) | ALDH1A1HPGDCYP3A4TDP1TSHR | |
| SCHEMBL8784661 | 0.82 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TDP1HSD17B10GRM2 | |
| SCHEMBL28777035 | 0.79 | GRM2 (0.46) | ALDH1A1HPGDTDP1TSHRHSD17B10 | |
| SCHEMBL9373290 | 0.78 | PTGS2 (0.45) | ALDH1A1TDP1HSD17B10GRM2PTGS2 | |
| SCHEMBL9373285 | 0.78 | PTGS2 (0.45) | ALDH1A1TDP1HSD17B10GRM2PTGS2 | |
| SCHEMBL5189044 | 0.77 | PTGS2 (0.47) | ALDH1A1TDP1HSD17B10GRM2MEN1 | |
| SCHEMBL10425110 | 0.76 | TYMP (0.37) | ALDH1A1HPGDCYP3A4TDP1TSHR | |
| SCHEMBL2418088 | 0.76 | GRM2 (0.33) | ALDH1A1HSD17B10GRM2MEN1MAPT | |
| SCHEMBL4856447 | 0.76 | PTGS2 (0.46) | ALDH1A1TDP1HSD17B10GRM2PTGS2 | |
| SCHEMBL4850917 | 0.76 | PTGS2 (0.46) | ALDH1A1TDP1HSD17B10GRM2PTGS2 |
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-118026880-A | Aryl amide compound, pharmaceutical composition containing same and application thereof | 华东师范大学 | 2024-05-14 | — | — | CN | disclosed |