Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 2/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL12281762 | 1.00 | CYP26A1 (0.32) | CYP26A1NR1H2NR1H3DGAT1CHRNB2 | |
| SCHEMBL12282137 | 0.83 | NR3C1 (0.38) | — | |
| SCHEMBL12283943 | 0.81 | CYP2D6 (0.33) | NR1H2NR1H3 | |
| SCHEMBL12199222 | 0.81 | CYP2D6 (0.33) | NR1H2NR1H3 | |
| SCHEMBL12199391 | 0.81 | CYP2D6 (0.33) | NR1H2NR1H3 | |
| SCHEMBL12199465 | 0.79 | AKR1C3 (0.35) | DGAT1CHRNB2CHRNA4 | |
| SCHEMBL12200016 | 0.79 | AKR1C3 (0.35) | DGAT1CHRNB2CHRNA4 | |
| SCHEMBL12181540 | 0.77 | KRAS (0.34) | NR1H2NR1H3 | |
| SCHEMBL31292671 | 0.77 | DEGS1 (0.38) | — | |
| SCHEMBL31463701 | 0.77 | DEGS1 (0.38) | — |
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-114174294-A | Novel compounds for inhibiting JANUS kinase 1 | 人类制药有限公司 | 2022-03-11 | — | — | CN | disclosed |