Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.63 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.53 |
| ▸ | TUBB | P07437 | 4/20 | 0.53 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.53 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.53 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.53 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL31164292 | 0.91 | CYP1A2 (0.77) | ALDH1A1CYP1A2CYP2C19TSHRCYP3A4 | |
| SCHEMBL1129401 | 0.91 | CYP1A2 (0.77) | ALDH1A1CYP1A2CYP2C19TSHRCYP3A4 | |
| SCHEMBL12982799 | 0.86 | LMNA (0.55) | ALDH1A1CYP1A2CYP2C19TSHRCYP3A4 | |
| SCHEMBL644265 | 0.86 | CA12 (0.69) | ALDH1A1CYP1A2CYP2C19TSHRCYP3A4 | |
| SCHEMBL29688674 | 0.86 | LMNA (0.55) | ALDH1A1CYP1A2CYP2C19TSHRCYP3A4 | |
| SCHEMBL17786825 | 0.85 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2C19TSHRCYP3A4 | |
| SCHEMBL426745 | 0.85 | MAPT (0.62) | ALDH1A1CYP1A2CYP2C19TSHRCYP3A4 | |
| SCHEMBL432016 | 0.85 | TSHR (0.62) | ALDH1A1CYP1A2CYP2C19TSHRCYP3A4 | |
| SCHEMBL27630437 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C19TSHRCYP3A4 | |
| SCHEMBL27026756 | 0.83 | MAPT (0.53) | ALDH1A1CYP1A2CYP2C19TSHRCYP3A4 |
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-104114552-B | Substituted Triazolopyridine and the purposes as TTK inhibitor thereof | 拜耳知识产权有限责任公司 | 2016-12-28 | — | — | CN | disclosed |