Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27606385 | 0.84 | HRH3 (0.39) | LOXL2HRH3CA12CA1CA2 | |
| SCHEMBL27588582 | 0.78 | MAOB (0.43) | CYP3A4ALDH1A1TDP1CYP17A1CYP19A1 | |
| SCHEMBL27543797 | 0.78 | CYP17A1 (0.38) | CYP3A4ALDH1A1TSHRCYP17A1CYP19A1 | |
| SCHEMBL27588474 | 0.76 | LTA4H (0.48) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL27588592 | 0.71 | PNMT (0.40) | CYP3A4ALDH1A1LOXL2SMN1; SMN2 | |
| 4,4'-Methylenedianiline SCHEMBL28001 | 0.69 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1CYP17A1 | |
| SCHEMBL8094139 | 0.69 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1CYP17A1 | |
| SCHEMBL6362775 | 0.69 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1CYP17A1 | |
| SCHEMBL1304762 | 0.69 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1CYP17A1 | |
| SCHEMBL3482770 | 0.69 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1CYP17A1 |
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 |