Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28876745 | 0.69 | GABRA1 (0.33) | — | |
| SCHEMBL950088 | 0.68 | CASP3 (0.72) | CASP3ALDH1A1LMNAMAPTPKM | |
| SCHEMBL29724215 | 0.68 | CASP3 (0.72) | CASP3ALDH1A1LMNAMAPTPKM | |
| SCHEMBL28916371 | 0.64 | ALDH1A1 (0.60) | CASP3ALDH1A1LMNAMAPTPKM | |
| SCHEMBL23145007 | 0.64 | CES1 (0.38) | ALDH1A1CA12CA2CA9ALDH3A1 | |
| SCHEMBL29811809 | 0.64 | CES1 (0.38) | ALDH1A1CA12CA2CA9ALDH3A1 | |
| SCHEMBL18954689 | 0.64 | CASP3 (0.55) | CASP3ALDH1A1LMNAMAPTPKM | |
| SCHEMBL6135864 | 0.62 | MGLL (0.65) | ALDH1A1LMNAMAPTPKMMEN1 | |
| SCHEMBL18955215 | 0.61 | CHRM5 (0.67) | CHRM5 | |
| SCHEMBL31621243 | 0.61 | PARK7 (0.65) | CASP3ALDH1A1CA12CA2CA9 |
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-110294702-B | Chiral alpha-fluorine-containing homoallylamine derivative and preparation method and application thereof | 武汉大学 | 2021-05-04 | — | — | CN | disclosed |