Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | MAT2A | P31153 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | REN | P00797 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | EDNRB | P24530 | 1/20 | 0.31 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22747847 | 0.88 | NPSR1 (0.45) | ALDH1A1LMNANPSR1MAT2AGAA | |
| SCHEMBL22747836 | 0.79 | EDNRA (0.36) | EDNRAMAPK8EDNRBFOLH1 | |
| SCHEMBL22747872 | 0.79 | KCNH2 (0.40) | — | |
| SCHEMBL22747880 | 0.76 | EDNRA (0.39) | EDNRARENMAPK8 | |
| SCHEMBL22747873 | 0.74 | MAT2A (0.43) | EDNRAALDH1A1LMNANPSR1MAT2A | |
| SCHEMBL22760356 | 0.69 | MAT2A (0.43) | EDNRAALDH1A1LMNANPSR1MAT2A | |
| SCHEMBL22760046 | 0.69 | REN (0.38) | EDNRAALDH1A1LMNAMAT2ACYP1A2 | |
| SCHEMBL22747841 | 0.67 | MAPK8 (0.52) | ALDH1A1LMNANPSR1GAAMAPT | |
| SCHEMBL22747849 | 0.67 | FOLH1 (0.39) | EDNRAALDH1A1LMNANPSR1MAT2A | |
| SCHEMBL22747852 | 0.64 | EDNRA (0.40) | EDNRAMAT2AMAPK8FOLH1 |
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 2 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 |
| CN-112028815-A | Indole derivatives and medical application thereof | 中国药科大学 | 2020-12-04 | — | — | CN | disclosed |