Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 5/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29263706 | 0.83 | CYP2A6 (0.59) | PRKCICYP2A6PIK3CBCHRNA7FAAH | |
| SCHEMBL110146 | 0.79 | PRKCI (0.58) | PRKCICYP2A6PIK3CBCHRNA7FAAH | |
| SCHEMBL8738295 | 0.77 | PRKCI (0.55) | PRKCICYP2A6PIK3CBCHRNA7FAAH | |
| SCHEMBL20562931 | 0.76 | PRKCI (0.59) | PRKCICYP2A6PIK3CBCHRNA7FAAH | |
| SCHEMBL25183109 | 0.75 | PRKCI (0.53) | PRKCICYP2A6PIK3CBCHRNA7FAAH | |
| SCHEMBL14361605 | 0.75 | PRKCI (0.53) | PRKCICYP2A6PIK3CBCHRNA7FAAH | |
| SCHEMBL6965207 | 0.75 | PRKCI (0.53) | PRKCICYP2A6PIK3CBCHRNA7FAAH | |
| SCHEMBL6965209 | 0.75 | PRKCI (0.53) | PRKCICYP2A6PIK3CBCHRNA7FAAH | |
| SCHEMBL18876154 | 0.74 | PRKCI (0.52) | PRKCICYP2A6PIK3CBCHRNA7FAAH | |
| SCHEMBL17504841 | 0.72 | PRKCI (0.50) | PRKCICYP2A6CHRNA7FAAHCACNA1H |
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-115073426-A | Pyrimidine heterocyclic compound and preparation method and application thereof | 上海科州药物研发有限公司 | 2022-09-20 | — | — | CN | disclosed |