Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5748166 | 0.85 | MAPK1 (0.33) | MAPK1NFKB1NFKB2RELA | |
| SCHEMBL294238 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL22152561 | 0.77 | MAPK1 (0.36) | MAPK1 | |
| SCHEMBL7379626 | 0.77 | MAPK1 (0.36) | MAPK1 | |
| SCHEMBL7359958 | 0.77 | MAPK1 (0.36) | MAPK1 | |
| SCHEMBL2783077 | 0.74 | MAPK1 (0.35) | MAPK1NFKB1NFKB2RELA | |
| SCHEMBL27619383 | 0.74 | — | — | |
| SCHEMBL248747 | 0.73 | NOS2 (0.39) | — | |
| SCHEMBL248746 | 0.73 | NOS2 (0.39) | — | |
| SCHEMBL40093 | 0.73 | NOS2 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111362933-A | α -amino acrylic acid microbicide and preparation method and application thereof | 南开大学 | 2020-07-03 | — | — | CN | claimed |
| WO-2019040105-A2 | COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES | ACADIA PHARMACEUTICALS INC. (US) | 2019-02-28 | — | — | WO | disclosed |
| CN-1176785-A | Tricyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-03-25 | — | — | CN | disclosed |