Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 17/20 | 0.36 |
| ▸ | HTR2A | P28223 | 7/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 7/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11456017 | 0.72 | HTR2C (0.49) | HTR2CHTR2ACYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL26915074 | 0.71 | HTR2C (0.47) | HTR2CHTR2ACYP3A4HTR2B | |
| SCHEMBL26915066 | 0.71 | HTR2C (0.47) | HTR2CHTR2ACYP3A4HTR2B | |
| SCHEMBL30729654 | 0.71 | HTR2C (0.47) | HTR2CHTR2ACYP3A4HTR2B | |
| Hydrochloric Acid SCHEMBL6421986 | 0.71 | HTR2C (0.49) | HTR2CHTR2ACYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL27039628 | 0.69 | HTR3A (0.47) | HTR2B | |
| SCHEMBL29114220 | 0.68 | THRB (0.40) | HTR2CHTR2ACYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL29239264 | 0.67 | PRKCQ (0.43) | HTR2C | |
| SCHEMBL29239265 | 0.67 | PRKCQ (0.43) | HTR2C | |
| SCHEMBL27039521 | 0.64 | ADRB2 (0.51) | ALDH1A1 |
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-118005655-A | Condensed ring compound, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2024-05-10 | — | — | CN | disclosed |