Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIG1 | P18858 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 2/20 | 0.32 |
| ▸ | KDM1A | O60341 | 3/20 | 0.32 |
| ▸ | RCOR1 | Q9UKL0 | 3/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL28389604 | 0.82 | LIG1 (0.38) | LIG1RORCKDM1ARCOR1HDAC4 | |
| SCHEMBL7969974 | 0.68 | MAPK1 (0.38) | KDM1A | |
| SCHEMBL8031930 | 0.62 | KDM1A (0.44) | LIG1RORCKDM1ARCOR1HDAC4 | |
| Hydrochloric Acid SCHEMBL2075502 | 0.61 | KDM1A (0.53) | LIG1KDM1ARCOR1HDAC4 | |
| SCHEMBL7987943 | 0.60 | PKM (0.34) | — | |
| SCHEMBL11019711 | 0.60 | HTR7 (0.40) | LIG1RORCKDM1ARCOR1HDAC4 | |
| SCHEMBL4133969 | 0.60 | KDM1A (0.44) | LIG1RORCKDM1ARCOR1HDAC4 | |
| SCHEMBL15766917 | 0.59 | KDM1A (0.51) | LIG1RORCKDM1ARCOR1HDAC4 | |
| SCHEMBL12825788 | 0.59 | MAPK1 (0.48) | LIG1RORCKDM1ARCOR1HDAC4 | |
| SCHEMBL15766918 | 0.59 | KDM1A (0.51) | LIG1RORCKDM1ARCOR1HDAC4 |
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-110938083-B | Compounds as BACE1 inhibitors and uses thereof | 南京圣和药业股份有限公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-110938083-A | Compounds as BACE1 inhibitors and uses thereof | 南京圣和药业股份有限公司 | 2020-03-31 | — | — | CN | disclosed |