Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | TAS2R31 | P59538 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL4226006 | 0.82 | TAS2R31 (0.45) | ALDH1A1HPGDMAPTPTPN1TAS2R31 | |
| SCHEMBL4129050 | 0.77 | CDK1 (0.47) | ALDH1A1MAPTTAS2R31KDM4EGAA | |
| SCHEMBL27950799 | 0.72 | TAS2R31 (0.39) | ALDH1A1MAPTPTPN1TAS2R31TDP1 | |
| SCHEMBL27775946 | 0.72 | IDO1 (0.49) | ALDH1A1MAPTTAS2R31TDP1IDO1 | |
| SCHEMBL29204371 | 0.71 | CYP19A1 (0.42) | MAPTRECQLKDM4EGAA | |
| SCHEMBL27775453 | 0.69 | NPC1 (0.44) | ALDH1A1HPGDMAPTPTPN1TAS2R31 | |
| SCHEMBL17503283 | 0.68 | NPC1 (0.45) | ALDH1A1MAPTRECQLGAA | |
| SCHEMBL28085134 | 0.66 | CDK1 (0.45) | GAAACHE | |
| SCHEMBL4225998 | 0.66 | PTPN1 (0.47) | MAPTPTPN1RECQLKDM4EGAA | |
| SCHEMBL28840935 | 0.66 | CYP19A1 (0.46) | MAPTRECQLKDM4EGAAACHE |
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-101615222-A | A kind of Chinese prescription designing technique based on the Chinese medicine effective component group | INST OF RADIATION MEDICINE CHI | 2009-12-30 | — | — | CN | disclosed |