Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | FBP1 | P09467 | 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 | |
|---|---|---|---|---|
| SCHEMBL20095558 | 0.87 | GAA (0.41) | GAATSHRCYP1A2CYP3A4ALOX15 | |
| SCHEMBL19633978 | 0.87 | MEN1 (0.38) | GAATSHRCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL20256925 | 0.82 | GAA (0.41) | GAATSHRCYP1A2CYP3A4ALOX15 | |
| SCHEMBL20096203 | 0.82 | GAA (0.40) | GAATSHRCYP1A2CYP3A4ALOX15 | |
| SCHEMBL20256536 | 0.81 | MEN1 (0.37) | GAATSHRCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL20256506 | 0.81 | MEN1 (0.38) | GAATSHRCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL19634063 | 0.80 | MEN1 (0.36) | GAATSHRCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL19634093 | 0.80 | MEN1 (0.36) | GAATSHRCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL20256546 | 0.79 | KDM4E (0.36) | GAATSHRCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL16771674 | 0.79 | GAA (0.41) | GAATSHRCYP1A2CYP3A4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018093694-A1 | DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |