Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5499018 | 0.63 | KMT2A (0.44) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| SCHEMBL19070853 | 0.61 | CYP2A6 (0.42) | ALDH1A1CYP2A6TSHRCYP2A13LMNA | |
| SCHEMBL598666 | 0.61 | CYP2A6 (0.46) | ALDH1A1CYP2A6TSHRCYP2A13KDM4E | |
| SCHEMBL22298427 | 0.61 | ALDH1A1 (0.41) | ALDH1A1CYP2A6TSHRCYP2A13KDM4E | |
| SCHEMBL4978587 | 0.61 | CYP2A6 (0.41) | ALDH1A1CYP2A6TSHRCYP2A13KDM4E | |
| SCHEMBL23980063 | 0.60 | DRD2 (0.40) | ALDH1A1CYP2A6TSHRCYP2A13 | |
| Menthofuran SCHEMBL12013745 | 0.60 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TSHRCYP2A13KDM4E | |
| SCHEMBL13487690 | 0.60 | DRD2 (0.66) | — | |
| SCHEMBL16233584 | 0.60 | ADRA2A (0.50) | NPSR1 | |
| Menthofuran SCHEMBL1472618 | 0.60 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TSHRCYP2A13KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019174607-A1 | DIHYDROPYRIDOPHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海艾力斯医药科技有限公司 | 2019-09-19 | — | — | WO | disclosed |