Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | KCNQ3 | O43525 | 3/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 3/20 | 0.35 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.35 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.35 |
| ▸ | RARA | P10276 | 2/20 | 0.33 |
| ▸ | RARB | P10826 | 2/20 | 0.33 |
| ▸ | RARG | P13631 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL17792180 | 0.92 | KCNQ3 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17816174 | 0.86 | NPC1 (0.46) | KCNQ3KCNQ2KCNE1KCNQ1MAPT | |
| SCHEMBL17792077 | 0.86 | LMNA (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19473175 | 0.85 | KCNQ3 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17816084 | 0.85 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17792174 | 0.83 | KCNQ3 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19319194 | 0.83 | MAOB (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17792175 | 0.83 | MAOB (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17792176 | 0.82 | NAMPT (0.42) | CYP1A2CYP3A4CYP2C19KCNQ3KCNQ2 | |
| SCHEMBL17792129 | 0.82 | TAS1R3 (0.48) | CYP2C9KCNQ3KCNQ2KCNE1KCNQ1 |
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-2016089990-A1 | SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT | NOVIRA THERAPEUTICS, INC. (US) | 2016-06-09 | — | — | WO | disclosed |