Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.58 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.56 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.52 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CCR2 | P41597 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.45 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28216521 | 0.84 | CYP19A1 (0.58) | CYP19A1P2RX4MEN1KMT2ALMNA | |
| SCHEMBL14045106 | 0.83 | CYP19A1 (0.56) | CYP19A1P2RX4MEN1KMT2ALMNA | |
| SCHEMBL28058463 | 0.83 | CYP19A1 (0.56) | CYP19A1P2RX4MEN1KMT2ALMNA | |
| SCHEMBL28444190 | 0.82 | LMNA (0.40) | CYP19A1P2RX4HSPD1HSPE1MEN1 | |
| SCHEMBL28165051 | 0.82 | ALDH1A1 (0.51) | MEN1KMT2ALMNAALDH1A1KDM4E | |
| SCHEMBL28438221 | 0.79 | ALDH1A1 (0.37) | CYP19A1P2RX4HSPD1HSPE1MEN1 | |
| SCHEMBL28435572 | 0.79 | KMT2A (0.44) | MEN1KMT2ALMNAALDH1A1KDM4E | |
| SCHEMBL20840111 | 0.78 | TSHR (0.46) | MEN1KMT2ALMNAALDH1A1KDM4E | |
| SCHEMBL28438115 | 0.78 | MEN1 (0.44) | CYP19A1P2RX4HSPD1HSPE1MEN1 | |
| SCHEMBL28438180 | 0.78 | CNR2 (0.41) | HSPD1HSPE1MEN1KMT2ALMNA |
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-106928121-B | High-efficiency preparation method of 3-substituted-benzo five-membered heterocycle-2-carbonyl compound | 暨南大学 | 2020-05-12 | — | — | CN | disclosed |