Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CD44 | P16070 | 1/20 | 0.35 |
| ▸ | ATP4A | P20648 | 5/20 | 0.35 |
| ▸ | ATP4B | P51164 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL7099907 | 0.80 | CYP3A4 (0.50) | CYP3A4TSHRPIK3CAALDH1A1ESR1 | |
| SCHEMBL13263824 | 0.79 | GABRA1 (0.43) | KCNH2GABRA1GABRB2 | |
| SCHEMBL3364100 | 0.79 | ESR1 (0.41) | TSHRALDH1A1ESR1GABRA1GABRB2 | |
| SCHEMBL7406902 | 0.79 | CYP3A4 (0.59) | CYP3A4TSHRPIK3CAALDH1A1ESR1 | |
| SCHEMBL844375 | 0.79 | FDPS (0.41) | CYP3A4TSHRALDH1A1ATP4AATP4B | |
| Hydrochloric Acid SCHEMBL28222545 | 0.78 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1ESR1 | |
| SCHEMBL3378789 | 0.78 | MMP2 (0.44) | CYP3A4TSHRALDH1A1ATP4AATP4B | |
| Hydrochloric Acid SCHEMBL14994099 | 0.77 | CYP3A4 (0.56) | CYP3A4TSHRPIK3CAALDH1A1ESR1 | |
| Hydrochloric Acid SCHEMBL2000089 | 0.77 | FDPS (0.40) | CYP3A4TSHRALDH1A1ATP4AATP4B | |
| SCHEMBL840872 | 0.76 | CYP3A4 (0.62) | CYP3A4TSHRPIK3CAALDH1A1ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1286810-C | 2-acyl indol derivatives and their use as anti-tumour agents | BAKST HEALTH AG (CH) | 2006-11-29 | — | — | CN | disclosed |
| CN-1431997-A | 2-acylindole derivatives and their use as antitumor agents | BAKST HEALTH AG (CH) | 2003-07-23 | — | — | CN | disclosed |