Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MDH2 | P40926 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7835246 | 0.87 | TDP1 (0.52) | ALDH1A1GABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL16920143 | 0.85 | NR4A2 (0.61) | ALDH1A1GABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL22479157 | 0.85 | GABRA1 (0.49) | ALDH1A1GABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL3264030 | 0.84 | NR4A2 (0.61) | ALDH1A1GABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL2807092 | 0.81 | CTNNB1 (0.49) | ALDH1A1GABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL10208253 | 0.80 | KMT2A (0.51) | ALDH1A1GABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL14793753 | 0.79 | TDP1 (0.52) | ALDH1A1GABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL27853699 | 0.79 | F7 (0.66) | ALDH1A1NR4A2LMNAHTR7HPGD | |
| SCHEMBL4485057 | 0.78 | NR4A2 (0.68) | ALDH1A1NR4A2LMNAKMT2AHTR7 | |
| SCHEMBL4941110 | 0.78 | ALDH1A1 (0.68) | ALDH1A1NR4A2LMNATDP1KMT2A |
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-102358741-A | Azepinoindole derivatives as pharmaceutical agents | EXELIXIS INC | 2012-02-22 | — | — | CN | disclosed |