Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | P4HB | P07237 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | MAT2A | P31153 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22747894 | 0.96 | ALDH1A1 (0.51) | ALDH1A1NPSR1LMNAMAPTGAA | |
| SCHEMBL22747837 | 0.87 | ALDH1A1 (0.45) | ALDH1A1NPSR1LMNAMAPTGAA | |
| SCHEMBL22747873 | 0.86 | MAT2A (0.43) | ALDH1A1NPSR1LMNAMAPTGAA | |
| SCHEMBL22760136 | 0.83 | NPSR1 (0.59) | ALDH1A1NPSR1LMNAMAPTGAA | |
| SCHEMBL22760356 | 0.82 | MAT2A (0.43) | ALDH1A1NPSR1LMNAMAPTGAA | |
| SCHEMBL22760159 | 0.81 | ALDH1A1 (0.47) | ALDH1A1NPSR1LMNAMAPTGAA | |
| SCHEMBL22747863 | 0.78 | MAT2A (0.47) | ALDH1A1LMNAMAPTHTTTSHR | |
| SCHEMBL22760231 | 0.77 | GAA (0.45) | ALDH1A1LMNAMAPTGAAMAPK8 | |
| SCHEMBL22748277 | 0.77 | MEN1 (0.46) | ALDH1A1LMNAMAPTGAAHTT | |
| SCHEMBL22760046 | 0.76 | REN (0.38) | ALDH1A1LMNAMAPTGAATSHR |
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 3 patents. 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 |
| WO-2020244462-A1 | INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2020-12-10 | — | — | WO | disclosed |
| CN-112028815-A | Indole derivatives and medical application thereof | 中国药科大学 | 2020-12-04 | — | — | CN | disclosed |