Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 3/20 | 0.35 |
| ▸ | MELK | Q14680 | 2/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15420634 | 0.84 | MELK (0.35) | CYP46A1MELK | |
| SCHEMBL15420237 | 0.84 | CHRM1 (0.36) | CYP46A1MELKP2RX3FFAR4CHRM1 | |
| Hydrochloric Acid SCHEMBL12989596 | 0.82 | MELK (0.35) | CYP46A1MELK | |
| Hydrochloric Acid SCHEMBL12989428 | 0.82 | MELK (0.35) | CYP46A1MELK | |
| SCHEMBL15420299 | 0.82 | MELK (0.33) | CYP46A1MELK | |
| SCHEMBL12989851 | 0.81 | CHRM1 (0.38) | CYP46A1MELKP2RX3CHEK1CHRM1 | |
| SCHEMBL12989854 | 0.81 | CHRM1 (0.38) | CYP46A1MELKP2RX3CHEK1CHRM1 | |
| SCHEMBL15420674 | 0.81 | CHRM1 (0.38) | CYP46A1MELKP2RX3CHEK1CHRM1 | |
| SCHEMBL12989333 | 0.80 | SCN9A (0.35) | CYP46A1MELKP2RX3CHRM1 | |
| SCHEMBL15420455 | 0.79 | MELK (0.34) | CYP46A1MELKP2RX3CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2694472-B1 | SULFONAMIDE DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2020-03-11 | — | — | EP | disclosed |