Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.39 |
| ▸ | NOS1 | P29475 | 3/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9125293 | 0.98 | NOS3 (0.40) | NOS3NOS1NOS2SIGMAR1HRH3 | |
| SCHEMBL454916 | 0.76 | KCNH2 (0.47) | SLC6A4KCNH2CYP3A4HTR2A | |
| SCHEMBL28091636 | 0.74 | KCNH2 (0.50) | SLC6A4KCNH2CYP3A4HTR2A | |
| SCHEMBL28254740 | 0.74 | KCNH2 (0.50) | SLC6A4KCNH2CYP3A4HTR2A | |
| SCHEMBL29737342 | 0.74 | KCNH2 (0.50) | SLC6A4KCNH2CYP3A4HTR2A | |
| SCHEMBL29886625 | 0.74 | KCNH2 (0.50) | SLC6A4KCNH2CYP3A4HTR2A | |
| SCHEMBL2708608 | 0.74 | KCNH2 (0.50) | SLC6A4KCNH2CYP3A4HTR2A | |
| SCHEMBL28213591 | 0.73 | CXCR4 (0.32) | — | |
| Benzene SCHEMBL29097018 | 0.73 | KCNH2 (0.48) | KCNH2 | |
| SCHEMBL8766235 | 0.72 | — | — |
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-115850656-A | High-compatibility low-free trimer and preparation method thereof | 韶关东森合成材料有限公司 | 2023-03-28 | — | — | CN | disclosed |