Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | PRKCQ | Q04759 | 12/20 | 0.46 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | PRKCA | P17252 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21463917 | 1.00 | DAO (0.47) | DAOPRKCQPDE2APDE3BPDE3A | |
| SCHEMBL21463768 | 0.87 | PRKCQ (0.50) | DAOPRKCQPRKCAALDH1A1 | |
| SCHEMBL30615354 | 0.87 | PRKCQ (0.50) | DAOPRKCQPRKCAALDH1A1 | |
| SCHEMBL30615630 | 0.83 | AURKA (0.56) | — | |
| SCHEMBL11511885 | 0.79 | DAO (0.58) | DAOPRKCQPRKCAALDH1A1 | |
| SCHEMBL30794441 | 0.77 | DAO (0.53) | DAOPRKCQPRKCAALDH1A1 | |
| SCHEMBL30257859 | 0.76 | DAO (0.55) | DAOPRKCQPRKCAALDH1A1 | |
| SCHEMBL21463351 | 0.75 | GABRP (0.51) | ALDH1A1 | |
| SCHEMBL30615474 | 0.75 | GABRP (0.51) | ALDH1A1 | |
| SCHEMBL30615505 | 0.75 | AURKA (0.50) | — |
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-111868037-B | Fused cyclic urea derivatives as CRHR2 antagonists | 拉夸里亚创药株式会社 | 2023-10-13 | — | — | CN | disclosed |