Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8854419 | 0.90 | SCN8A (0.36) | SCN8AMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8854428 | 0.87 | SCN8A (0.33) | SCN8AMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8763880 | 0.84 | MEN1 (0.34) | SCN8AMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8412043 | 0.79 | MEN1 (0.38) | SCN8AMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8854520 | 0.79 | MEN1 (0.34) | SCN8AMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8735588 | 0.79 | MEN1 (0.34) | SCN8AMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27448200 | 0.79 | KMT2A (0.36) | SCN8AMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21388021 | 0.78 | CYP3A4 (0.36) | SCN8AMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27369519 | 0.77 | MEN1 (0.35) | SCN8AMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8763877 | 0.76 | MEN1 (0.34) | SCN8AMEN1CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5670691-A | REACTION OF 2-SUBSTITUTED BENZENESULFONATE WITH LITHIUM COMPOUND THEN REACTION WITH ELECTROPHILE TO FORM 2,6-DISUBSTITUTED BENZENESULFONATE | ROHM AND HAAS COMPANY (US) | 1997-09-23 | — | — | US | disclosed |