Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.65 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.55 |
| ▸ | HTR6 | P50406 | 2/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | HTR2B | P41595 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2284584 | 1.00 | CCR5 (0.65) | CCR5SLC6A4HTR6HTR2AHTR2C | |
| SCHEMBL2284712 | 0.89 | ENPP2 (0.54) | CCR5SLC6A4HTR6CYP1A2CYP2C9 | |
| SCHEMBL7150434 | 0.85 | MAOB (0.60) | — | |
| SCHEMBL29689869 | 0.85 | CCR5 (0.63) | CCR5SLC6A4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5699666 | 0.85 | CCR5 (0.63) | CCR5SLC6A4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29690396 | 0.84 | PTGDR2 (0.61) | CCR5SLC6A4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL82269 | 0.84 | PTGDR2 (0.61) | CCR5SLC6A4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2288692 | 0.84 | SLC6A4 (0.53) | CCR5SLC6A4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7398748 | 0.83 | ENPP2 (0.61) | CCR5CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL29227218 | 0.82 | CCR5 (0.56) | CCR5SLC6A4MAPTPTGDR2 |
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-117430570-A | Rhodamine acetic acid compound, and pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-01-23 | — | — | CN | disclosed |