Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27588500 | 0.87 | ALDH1A1 (0.38) | CYP3A4ALDH1A1TDP1TSHRMAPK1 | |
| SCHEMBL27588471 | 0.84 | MAOA (0.40) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL27588566 | 0.83 | HRH3 (0.42) | CYP3A4ALDH1A1TDP1TSHRMAPK1 | |
| SCHEMBL27588462 | 0.83 | ESR1 (0.47) | CYP3A4ALDH1A1TDP1TSHRMAPK1 | |
| SCHEMBL27606334 | 0.81 | LTA4H (0.47) | CYP3A4ALDH1A1TDP1TSHRMAPK1 | |
| SCHEMBL27588555 | 0.80 | POLB (0.39) | CYP3A4ALDH1A1TDP1TSHRMAPK1 | |
| SCHEMBL27606440 | 0.78 | NOS1 (0.37) | CYP3A4ALDH1A1LOXL2 | |
| SCHEMBL8771470 | 0.77 | CYP3A4 (0.52) | CYP3A4ALDH1A1TDP1TSHRCYP19A1 | |
| SCHEMBL28752772 | 0.77 | CYP3A4 (0.56) | CYP3A4ALDH1A1TDP1TSHRCYP19A1 | |
| SCHEMBL27588676 | 0.76 | SLC6A4 (0.39) | TDP1 |
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-1553900-A | Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents | ��ʱ��ʩ����ҩ��˾ | 2004-12-08 | — | — | CN | disclosed |