Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 7/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | HTR2B | P41595 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PBRM1 | Q86U86 | 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 | |
|---|---|---|---|---|
| SCHEMBL11464929 | 0.74 | TSHR (0.37) | ALDH1A1TSHRHTR2CACHEMAPT | |
| SCHEMBL7754656 | 0.73 | MEN1 (0.38) | ALDH1A1TSHRCA1CA2CYP2A6 | |
| SCHEMBL11473460 | 0.71 | ACHE (0.37) | ALDH1A1CYP1A2CYP2A6ACHEGAA | |
| Iodide SCHEMBL11463652 | 0.71 | MEN1 (0.36) | ALDH1A1CYP2A6CYP3A4MAPTHPGD | |
| Hydrochloric Acid SCHEMBL11465934 | 0.71 | MEN1 (0.36) | ALDH1A1HTR2CCYP2A6CYP3A4MAPT | |
| SCHEMBL28618542 | 0.70 | HTR2B (0.46) | ALDH1A1TSHRHTR2CHTR2AHTR2B | |
| SCHEMBL30838752 | 0.70 | HTR2B (0.46) | ALDH1A1TSHRHTR2CHTR2AHTR2B | |
| SCHEMBL11465719 | 0.70 | TSHR (0.37) | ALDH1A1TSHRHTR2CCYP1A2ACHE | |
| Hydrochloric Acid SCHEMBL11474712 | 0.69 | ACHE (0.36) | ALDH1A1HTR2CCYP1A2CYP2A6ACHE | |
| SCHEMBL9622137 | 0.68 | MYC (0.44) | ALDH1A1TSHRHTR2CHTR2AHTR2B |
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-101616892-A | The tricyclic compound that is used for the treatment of the iron imbalance | XENON PHARMACEUTICALS INC | 2009-12-30 | — | — | CN | disclosed |