Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4836730 | 0.86 | CYP3A4 (0.39) | CA12CA2CA9PTGS2CYP1A2 | |
| SCHEMBL28274474 | 0.78 | — | — | |
| Diethylamine SCHEMBL27501291 | 0.76 | LMNA (0.38) | CA12CA2CA9ALDH1A1BRD4 | |
| SCHEMBL29139764 | 0.75 | CA12 (0.48) | CA12CA2CA9ALDH1A1L3MBTL1 | |
| SCHEMBL10029714 | 0.75 | CA12 (0.54) | CA12CA2CA9ALDH1A1L3MBTL1 | |
| Methane SCHEMBL28403059 | 0.75 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL28790733 | 0.75 | GSTO1 (0.42) | CA12CA2CA9ALDH1A1CYP1A2 | |
| Biphenyl SCHEMBL8734478 | 0.74 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CYP1A2CYP3A4HPGD | |
| Propionaldehyde SCHEMBL7564236 | 0.72 | ALDH1A1 (0.47) | CA12CA2CA9PTGS2ALDH1A1 | |
| SCHEMBL28400520 | 0.71 | CA12 (0.38) | CA12CA2CA9ALDH1A1CASP3 |
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-118084726-A | 1-Cyano-2-hydroxy-5-fluoro compound and preparation method thereof | 南京工业大学 | 2024-05-28 | — | — | CN | claimed |
| CN-118084726-A | 1-Cyano-2-hydroxy-5-fluoro compound and preparation method thereof | 南京工业大学 | 2024-05-28 | — | — | CN | disclosed |