Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 19/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | GPR183 | P32249 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | APLNR | P35414 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | CX3CR1 | P49238 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29024488 | 0.88 | ABL1 (0.39) | HTR2AABL1HTR2CKCNH2 | |
| SCHEMBL29024635 | 0.86 | TP53 (0.39) | HTR2AHRH3 | |
| SCHEMBL29024637 | 0.85 | HTR2A (0.47) | HTR2AABCB11CYP1A2ADRB2CHRM2 | |
| SCHEMBL30478116 | 0.83 | LMNA (0.36) | HTR2AHRH3 | |
| SCHEMBL29024481 | 0.83 | HTR2A (0.42) | HTR2AABL1SRCABCB11CYP1A2 | |
| SCHEMBL30478103 | 0.79 | LTA4H (0.36) | HRH3 | |
| SCHEMBL29024487 | 0.75 | HRH1 (0.40) | HTR2AABL1 | |
| SCHEMBL29024642 | 0.74 | HTR2A (0.41) | HTR2A | |
| SCHEMBL29024647 | 0.73 | HTR2A (0.51) | HTR2AABCB11CYP1A2ADRB2CHRM2 | |
| SCHEMBL30478119 | 0.71 | SLC16A3 (0.38) | HRH3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116354925-A | Pyrazole derivatives and use thereof | 江苏恩华药业股份有限公司 | 2023-06-30 | — | — | CN | claimed |
| CN-116354925-A | Pyrazole derivatives and use thereof | 江苏恩华药业股份有限公司 | 2023-06-30 | — | — | CN | disclosed |