Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.74 |
| ▸ | MGLL | Q99685 | 15/20 | 0.68 |
| ▸ | BCHE | P06276 | 1/20 | 0.62 |
| ▸ | ACHE | P22303 | 1/20 | 0.62 |
| ▸ | ELANE | P08246 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL13363263 | 0.98 | HTR3A (0.76) | HTR3AMGLLBCHEACHEPARP1 | |
| SCHEMBL20435445 | 0.87 | HTR3A (0.65) | HTR3AMGLL | |
| SCHEMBL20897573 | 0.86 | HTR3A (0.72) | HTR3AMGLLPARP1 | |
| Hydrochloric Acid SCHEMBL20897549 | 0.85 | HTR3A (0.70) | HTR3AMGLLPARP1 | |
| SCHEMBL2420509 | 0.85 | HTR3A (0.70) | HTR3AMGLLELANE | |
| SCHEMBL30850864 | 0.85 | HTR3A (1.00) | HTR3AMGLL | |
| Hydrochloric Acid SCHEMBL29784162 | 0.85 | HTR3A (0.70) | HTR3AMGLLPARP1 | |
| Hydrochloric Acid SCHEMBL20897547 | 0.85 | HTR3A (0.70) | HTR3AMGLLPARP1 | |
| SCHEMBL20897487 | 0.82 | MGLL (1.00) | MGLL | |
| SCHEMBL20897438 | 0.82 | MGLL (1.00) | MGLL |
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-114502549-A | Homopiperazinyl and homopiperidinyl quinazolin-4 (3H) -one derivatives having multimodal activity against pain | 埃斯特韦制药股份公司 | 2022-05-13 | — | — | CN | disclosed |