Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | BCR | P11274 | 2/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.41 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7570350 | 0.88 | DYRK1A (0.55) | CLK4DYRK1AERN1GLO1CYP1A2 | |
| SCHEMBL14484609 | 0.86 | CLK4 (0.51) | ABL1ABCB1BCRCLK4CYP2A6 | |
| SCHEMBL11617705 | 0.79 | KMT2A (0.46) | ERN1TP53TSHRMAPTKMT2A | |
| SCHEMBL27951853 | 0.79 | POLB (0.37) | ABL1ERN1CYP1A2CYP2A6CYP2C9 | |
| SCHEMBL10119321 | 0.77 | S1PR1 (0.46) | CYP3A4TP53MAPT | |
| SCHEMBL2083958 | 0.76 | ERN1 (0.41) | ABL1CLK4ERN1NFE2L2 | |
| SCHEMBL8512088 | 0.75 | S100A4 (0.45) | ABL1ERN1CYP3A4CYP2D6CYP2A6 | |
| SCHEMBL2083077 | 0.74 | ALDH1A1 (0.42) | ABL1GLO1CYP2A6TSHRMAPT | |
| SCHEMBL2085980 | 0.74 | NFE2L2 (0.46) | ERN1CYP1A2CYP3A4CYP2D6TP53 | |
| SCHEMBL29889754 | 0.74 | TUBB4A (0.50) | ABL1ABCB1BCRCLK4DYRK1A |
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-110563641-B | Ortho-halogenated phenyl pyridine ketone compound and preparation method thereof | 三峡大学 | 2023-03-24 | — | — | CN | disclosed |
| CN-110563641-A | Ortho-halogenated phenyl pyridine ketone compound and preparation method thereof | 三峡大学 | 2019-12-13 | — | — | CN | disclosed |