Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 8/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16831956 | 0.78 | SLC6A4 (0.39) | SLC6A4HRH3TAAR1HTR2ACYP1A2 | |
| SCHEMBL11135816 | 0.77 | TAAR1 (0.78) | SLC6A4TAAR1CYP1A2CYP2D6CYP2C19 | |
| Bromide SCHEMBL6322802 | 0.75 | TAAR1 (0.75) | SLC6A4TAAR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16682951 | 0.73 | TYR (0.43) | — | |
| SCHEMBL24456663 | 0.72 | TAAR1 (0.46) | SLC6A4TAAR1HTR2A | |
| SCHEMBL29653091 | 0.72 | TAAR1 (0.46) | SLC6A4TAAR1HTR2A | |
| SCHEMBL29653098 | 0.71 | TAAR1 (0.44) | SLC6A4HRH3TAAR1CYP1A2CYP2D6 | |
| SCHEMBL24456696 | 0.71 | TAAR1 (0.75) | SLC6A4TAAR1 | |
| SCHEMBL16815236 | 0.70 | TAAR1 (0.40) | SLC6A4HRH3TAAR1HTR2ACYP1A2 | |
| SCHEMBL4225017 | 0.70 | ALOX5 (0.47) | HTR2A |
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-117384356-A | Fluorescent conjugated polyelectrolyte containing phenylboronic acid side groups and preparation method thereof | 苏州大学 | 2024-01-12 | — | — | CN | disclosed |