Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7942748 | 0.87 | ALDH1A1 (0.55) | ALDH1A1RECQLMMP8KMT2AMAPT | |
| SCHEMBL7139929 | 0.84 | ALDH1A1 (0.49) | ARALDH1A1RECQLMMP8MAPK1 | |
| SCHEMBL28796267 | 0.84 | ALDH1A1 (0.49) | ALDH1A1RECQLMMP8MAPK1KMT2A | |
| SCHEMBL28796243 | 0.83 | ALDH1A1 (0.48) | ARALDH1A1RECQLMMP8KMT2A | |
| SCHEMBL28796282 | 0.83 | MMP8 (0.51) | ALDH1A1RECQLMMP8MAPK1KMT2A | |
| SCHEMBL28796264 | 0.83 | ALDH1A1 (0.48) | ALDH1A1RECQLMMP8KMT2AHPGD | |
| SCHEMBL28796256 | 0.81 | ALDH1A1 (0.47) | ALDH1A1RECQLMMP8KMT2ATDP1 | |
| SCHEMBL491661 | 0.79 | KMT2A (0.42) | ARALDH1A1RECQLMMP8MAPK1 | |
| SCHEMBL491664 | 0.79 | KMT2A (0.42) | ARALDH1A1RECQLMMP8MAPK1 | |
| SCHEMBL491662 | 0.79 | MAPT (0.40) | ARALDH1A1RECQLMMP8KMT2A |
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-109694334-B | Solvent-free preparation method of disubstituted cyanoacetate compound | 西华大学 | 2022-07-22 | — | — | CN | disclosed |