Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PGK1 | P00558 | 1/20 | 0.36 |
| ▸ | PGK2 | P07205 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29442151 | 1.00 | TAS1R3 (0.39) | TAS1R3TAS1R1ACHEKMT2AHTT | |
| SCHEMBL1825332 | 0.85 | CES2 (0.50) | KMT2AHTTLMNAMAPK1SMN1; SMN2 | |
| SCHEMBL12477971 | 0.83 | HDAC8 (0.47) | ACHEKMT2AALDH1A1MAPTHDAC4 | |
| SCHEMBL30097986 | 0.83 | CES2 (0.53) | KMT2AHTTLMNAMAPK1SMN1; SMN2 | |
| SCHEMBL28390941 | 0.83 | HDAC8 (0.47) | ACHEKMT2AALDH1A1MAPTHDAC4 | |
| SCHEMBL1584197 | 0.83 | CES2 (0.48) | KMT2AHTTLMNAMAPK1SMN1; SMN2 | |
| SCHEMBL10775693 | 0.75 | HPGD (0.32) | LMNAALDH1A1CYP3A4 | |
| Tetrabuthylammonium SCHEMBL1825568 | 0.73 | HDAC3 (0.42) | TAS1R3TAS1R1KMT2AHTTLMNA | |
| SCHEMBL19561446 | 0.71 | DHODH (0.51) | ALDH1A1MAPTPTPN1 | |
| SCHEMBL14068424 | 0.70 | KIF11 (0.50) | HDAC4PTPN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114174292-A | Substituted 2-morpholinopyridine derivatives as ATR kinase inhibitors | 修复治疗公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-113454080-A | Compounds, pharmaceutical compositions and methods of making compounds and methods of use thereof | 修复治疗公司 | 2021-09-28 | — | — | CN | disclosed |