Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 6/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CPT1A | P50416 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28826953 | 0.93 | POLB (0.40) | OPRK1KCNH2CHRM3CHRNB2CHRNA4 | |
| SCHEMBL28059300 | 0.88 | CHRM3 (0.38) | OPRK1KCNH2CHRM3CHRNB2CHRNA4 | |
| SCHEMBL20658831 | 0.84 | TSHR (0.38) | OPRK1KCNH2CHRM3ALDH1A1POLB | |
| SCHEMBL4279118 | 0.82 | CHRM3 (0.36) | OPRK1KCNH2CHRM3 | |
| SCHEMBL4279130 | 0.82 | CHRM3 (0.36) | OPRK1KCNH2CHRM3 | |
| SCHEMBL28059315 | 0.82 | SLC6A2 (0.44) | CHRNB2CHRNA4ALDH1A1CPT1A | |
| SCHEMBL28053867 | 0.80 | OPRK1 (0.41) | OPRK1KCNH2CHRM3POLBCHRM2 | |
| SCHEMBL23526972 | 0.77 | EPHX2 (0.42) | NOTUMALDH1A1 | |
| SCHEMBL23527276 | 0.75 | EPHX2 (0.41) | NOTUMALDH1A1 | |
| SCHEMBL4102370 | 0.75 | RBP4 (0.38) | RIPK1 |
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-105384695-A | Pyrimidine derivative, preparation method therefor and application thereof in medicine | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2016-03-09 | — | — | CN | disclosed |