Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29045194 | 0.84 | CYP1A2 (0.35) | CHEK1CYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL24936246 | 0.81 | KCNH2 (0.43) | KCNH2CYP2C19CYP2D6AAK1 | |
| SCHEMBL29045174 | 0.76 | CHEK1 (0.47) | CD274PDCD1CHEK1KCNH2PDCD1LG2 | |
| SCHEMBL29045179 | 0.71 | CHEK1 (0.35) | CD274PDCD1CHEK1KCNH2PDCD1LG2 | |
| SCHEMBL29827219 | 0.67 | KCNH2 (0.52) | KCNH2CYP2C19CYP2D6AAK1 | |
| SCHEMBL24936185 | 0.67 | KCNH2 (0.52) | KCNH2CYP2C19CYP2D6AAK1 | |
| SCHEMBL9818734 | 0.63 | FAAH (0.52) | CYP1A2ALDH1A1LMNATSHRL3MBTL1 | |
| SCHEMBL29045170 | 0.62 | CHEK1 (0.47) | CHEK1KCNH2CYP1A2LMNAKMT2A | |
| SCHEMBL29140637 | 0.62 | MERTK (0.46) | LMNAL3MBTL1GAA | |
| SCHEMBL28434588 | 0.60 | CD274 (0.51) | CD274PDCD1PDCD1LG2LMNAL3MBTL1 |
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-116546974-A | 5-heteroaryl-1H-pyrazol-3-amine derivatives | 住友制药株式会社 | 2023-08-04 | — | — | CN | disclosed |