Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 7/20 | 0.44 |
| ▸ | HTR1A | P08908 | 4/20 | 0.44 |
| ▸ | DRD3 | P35462 | 4/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12536831 | 1.00 | HDAC6 (0.50) | HDAC6CYP1A2KMT2AHPGDMAOA | |
| SCHEMBL18365077 | 0.90 | KMT2A (0.51) | HDAC6CYP1A2KMT2AHPGDMAOA | |
| SCHEMBL17278625 | 0.89 | HDAC6 (0.46) | HDAC6CYP1A2KMT2AHPGDMAOA | |
| SCHEMBL12536861 | 0.88 | ITGB2 (0.47) | CYP1A2KMT2AMEN1CYP2C19NPSR1 | |
| SCHEMBL1102436 | 0.85 | BCHE (0.42) | HDAC6CYP1A2KMT2AHPGDMAOA | |
| SCHEMBL20152507 | 0.85 | BCHE (0.42) | HDAC6CYP1A2KMT2AHPGDMAOA | |
| SCHEMBL12536842 | 0.85 | CYP1A2 (0.50) | HDAC6CYP1A2KMT2AHPGDMEN1 | |
| SCHEMBL12536839 | 0.85 | BCHE (0.39) | HDAC6CYP1A2KMT2AHPGDMAOA | |
| SCHEMBL12190901 | 0.84 | HDAC6 (0.62) | HDAC6KMT2AMAOAMEN1PTGS1 | |
| SCHEMBL29851224 | 0.84 | HDAC6 (0.62) | HDAC6KMT2AMAOAMEN1PTGS1 |
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-113026036-B | Method for synthesizing sulfur ylide compounds by using continuous flow electrochemical oxidation | 南京工业大学 | 2022-06-07 | — | — | CN | disclosed |