Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.52 |
| ▸ | JAK2 | O60674 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | ANPEP | P15144 | 1/20 | 0.45 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 4/20 | 0.41 |
| ▸ | MMP1 | P03956 | 2/20 | 0.41 |
| ▸ | MMP3 | P08254 | 2/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.41 |
| ▸ | ADAM9 | Q13443 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14337677 | 0.83 | CHEK1 (0.58) | CHEK1JAK2ACEMMP3POLB | |
| SCHEMBL15704266 | 0.82 | CHEK1 (0.48) | CHEK1JAK2MMP2ANPEPNR1D1 | |
| SCHEMBL15704265 | 0.82 | CHEK1 (0.48) | CHEK1JAK2MMP2ANPEPNR1D1 | |
| SCHEMBL29177033 | 0.81 | CHEK1 (0.47) | CHEK1JAK2MMP2ANPEPNR1D1 | |
| SCHEMBL12992250 | 0.80 | CHEK1 (0.46) | CHEK1JAK2MMP2ANPEPNR1D1 | |
| SCHEMBL13545530 | 0.80 | CHEK1 (0.46) | CHEK1JAK2MMP2ANPEPNR1D1 | |
| SCHEMBL28611516 | 0.79 | CHEK1 (0.45) | CHEK1JAK2MMP2ANPEPNR1D1 | |
| SCHEMBL12878828 | 0.79 | CHEK1 (0.45) | CHEK1JAK2MMP2ANPEPNR1D1 | |
| SCHEMBL29655525 | 0.79 | CHEK1 (0.45) | CHEK1JAK2MMP2ANPEPNR1D1 | |
| SCHEMBL1773387 | 0.78 | MMP2 (0.46) | MMP2ANPEPKMT2APOLB |
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-118125950-A | Chiral alpha-amino acid derivative and preparation method and application thereof | 四川大学 | 2024-06-04 | — | — | CN | disclosed |