Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22747889 | 0.93 | HSD17B10 (0.39) | ALDH1A1TP53USP2MAPK1RECQL | |
| SCHEMBL22760185 | 0.92 | HPGD (0.43) | ALDH1A1TP53USP2MAPK1RECQL | |
| SCHEMBL22748239 | 0.91 | HSD17B10 (0.41) | ALDH1A1TP53USP2MAPK1RECQL | |
| SCHEMBL22747893 | 0.90 | MAPK1 (0.39) | ALDH1A1TP53USP2MAPK1RECQL | |
| SCHEMBL22760149 | 0.90 | LMNA (0.41) | ALDH1A1TP53USP2MAPK1RECQL | |
| SCHEMBL22748357 | 0.89 | JMJD6 (0.39) | ALDH1A1TP53USP2MAPK1RECQL | |
| SCHEMBL22760192 | 0.88 | ALDH1A1 (0.41) | ALDH1A1TP53USP2MAPK1RECQL | |
| SCHEMBL22748253 | 0.88 | HSD17B10 (0.39) | ALDH1A1TP53USP2MAPK1RECQL | |
| SCHEMBL22747823 | 0.88 | ALDH1A1 (0.45) | ALDH1A1TP53USP2MAPK1RECQL | |
| SCHEMBL22747895 | 0.87 | TSHR (0.39) | ALDH1A1USP2MAPK1RECQLHSD17B10 |
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-2020244462-A1 | INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2020-12-10 | — | — | WO | disclosed |