Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | GPR88 | Q9GZN0 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5692495 | 0.88 | CYP1A2 (0.45) | ALDH1A1CYP1A2CYP3A4TSHRPTGS2 | |
| SCHEMBL787325 | 0.84 | TDP1 (0.57) | ALDH1A1KMT2AMEN1MAPTRAB9A | |
| SCHEMBL2222143 | 0.82 | KDM4E (0.48) | ALDH1A1KMT2AMEN1POLBMAPT | |
| SCHEMBL11398882 | 0.82 | ALDH1A1 (0.44) | ALDH1A1CYP1A2KMT2ACYP2D6MMP8 | |
| SCHEMBL5692490 | 0.82 | KMT2A (0.52) | PTGS2PTGS1KMT2ACYP2D6POLB | |
| SCHEMBL3871835 | 0.80 | LTB4R (0.45) | ALDH1A1CYP3A4TSHRPTGS2PTGS1 | |
| SCHEMBL4192926 | 0.77 | LMNA (0.55) | ALDH1A1CYP1A2CYP3A4PTGS2PTGS1 | |
| SCHEMBL10527197 | 0.77 | KMT2A (0.47) | ALDH1A1CYP3A4PTGS2PTGS1KMT2A | |
| SCHEMBL304815 | 0.77 | MMP8 (0.57) | TSHRKMT2AMMP8MEN1NPC1 | |
| SCHEMBL10756249 | 0.77 | MMP8 (0.57) | TSHRKMT2AMMP8MEN1NPC1 |
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-108264507-B | Preparation method and application of 6-phenethyl-4-hydroxy-2 (1H) -pyridone-3-formamide derivative | 北京大学 | 2021-02-23 | — | — | CN | disclosed |