Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.68 |
| ▸ | MEN1 | O00255 | 5/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.68 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 5/20 | 0.64 |
| ▸ | POLB | P06746 | 2/20 | 0.62 |
| ▸ | CRHBP | P24387 | 1/20 | 0.61 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL6705730 | 0.88 | ALDH1A1 (0.74) | ALDH1A1TSHRKMT2AMEN1KDM4E | |
| SCHEMBL28877708 | 0.86 | ALDH1A1 (0.78) | ALDH1A1TSHRKMT2AMEN1KDM4E | |
| SCHEMBL28649237 | 0.86 | ALDH1A1 (0.78) | ALDH1A1TSHRKMT2AMEN1KDM4E | |
| SCHEMBL28664509 | 0.86 | ALDH1A1 (0.78) | ALDH1A1TSHRKMT2AMEN1KDM4E | |
| SCHEMBL28326677 | 0.85 | ALDH1A1 (0.79) | ALDH1A1TSHRKMT2AMEN1KDM4E | |
| SCHEMBL28325540 | 0.85 | ALDH1A1 (0.77) | ALDH1A1TSHRKMT2AMEN1KDM4E | |
| SCHEMBL6705731 | 0.85 | ALDH1A1 (0.77) | ALDH1A1TSHRKMT2AMEN1KDM4E | |
| SCHEMBL6707595 | 0.85 | ALDH1A1 (0.77) | ALDH1A1TSHRKMT2AMEN1KDM4E | |
| SCHEMBL6705746 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TSHRKMT2AMEN1KDM4E | |
| SCHEMBL6705768 | 0.83 | ALDH1A1 (0.78) | ALDH1A1TSHRKMT2AMEN1KDM4E |
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-113620919-B | Mechanical ball milling assisted synthesis method of 2-amino-3-cyano-4H-pyran compound | 浙江工业大学 | 2023-12-12 | — | — | CN | disclosed |
| CN-113620919-A | Mechanical ball-milling auxiliary synthesis method of 2-amino-3-cyano-4H-pyran compounds | 浙江工业大学 | 2021-11-09 | — | — | CN | disclosed |