Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.44 |
| ▸ | METAP1 | P53582 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HBB | P68871 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL28512185 | 0.86 | ACHE (0.47) | ACHEMETAP1TSHRDRD2CYP19A1 | |
| SCHEMBL30022661 | 0.85 | ACHE (0.58) | ACHEMETAP1TSHRKDM4EMEN1 | |
| SCHEMBL1855652 | 0.85 | ACHE (0.58) | ACHEMETAP1TSHRKDM4EMEN1 | |
| SCHEMBL4221590 | 0.85 | ACHE (0.58) | ACHEMETAP1TSHRKDM4EMEN1 | |
| SCHEMBL11523523 | 0.75 | ACHE (0.53) | ACHEMETAP1TSHRKDM4EMEN1 | |
| SCHEMBL6273471 | 0.71 | ACHE (0.49) | ACHEMETAP1TSHRKDM4EMEN1 | |
| SCHEMBL18048355 | 0.70 | ACHE (0.47) | ACHEMETAP1TSHRKDM4EMEN1 | |
| SCHEMBL25001847 | 0.69 | CYP19A1 (0.47) | ACHETSHRKDM4EMAPTDRD2 | |
| SCHEMBL13337387 | 0.69 | S100A4 (0.53) | ACHEKDM4EMEN1MAPTKMT2A | |
| SCHEMBL28525188 | 0.67 | ACHE (0.63) | ACHEMETAP1CYP19A1 |
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-110204468-B | Asymmetric synthesis method of chiral alpha-thiocyano cyclic ketonic acid ester compound | 浙江工业大学 | 2021-02-02 | — | — | CN | disclosed |