Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.54 |
| ▸ | HTR2A | P28223 | 3/20 | 0.54 |
| ▸ | HTR7 | P34969 | 2/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 3/20 | 0.37 |
| ▸ | CCND1 | P24385 | 3/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30267597 | 0.86 | HTR2C (0.54) | HTR2CHTR2AHTR7P2RX7SLC2A1 | |
| SCHEMBL12879254 | 0.79 | HTR2C (0.55) | HTR2CHTR2AHTR7P2RX7SLC2A1 | |
| SCHEMBL3017206 | 0.79 | HTR7 (0.49) | HTR2CHTR2AHTR7SLC2A1 | |
| SCHEMBL20819312 | 0.79 | EGFR (0.48) | HTR2CHTR2AHTR7SLC2A1CDK4 | |
| SCHEMBL25310301 | 0.77 | HTR2C (0.55) | HTR2CHTR2AHTR7P2RX7CDK4 | |
| SCHEMBL8435460 | 0.77 | HTR2C (0.59) | HTR2CHTR2AHTR7P2RX7CDK4 | |
| SCHEMBL28651148 | 0.77 | HTR2C (0.59) | HTR2CHTR2AHTR7P2RX7CDK4 | |
| SCHEMBL12605578 | 0.77 | HTR2C (0.63) | HTR2CHTR2AHTR7P2RX7CDC7 | |
| SCHEMBL21936809 | 0.76 | HTR2C (0.48) | HTR2CHTR2AHTR7P2RX7SLC2A1 | |
| SCHEMBL5635097 | 0.75 | HTR2C (0.53) | HTR2CHTR2AHTR7P2RX7CDK4 |
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-117624062-A | Barbiturates structure-containing compound and preparation method and application thereof | 武汉大学 | 2024-03-01 | — | — | CN | disclosed |