Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20121607 | 0.95 | KCNH2 (0.70) | KCNH2CYP3A4BRD4CREBBPCSNK1D | |
| SCHEMBL20121549 | 0.91 | KCNH2 (0.68) | KCNH2CYP3A4PTGDR2MEN1LMNA | |
| SCHEMBL12952185 | 0.91 | KCNH2 (0.78) | KCNH2CYP3A4MAPTBRD4CREBBP | |
| SCHEMBL20121555 | 0.90 | KCNH2 (0.68) | KCNH2CYP3A4P2RX7 | |
| SCHEMBL20121612 | 0.90 | KCNH2 (0.80) | KCNH2CYP3A4P2RX7 | |
| SCHEMBL1052384 | 0.88 | KCNH2 (0.82) | KCNH2CYP3A4PTGDR2MEN1LMNA | |
| SCHEMBL12952195 | 0.88 | KCNH2 (0.74) | KCNH2CYP3A4PTGDR2LMNAMAPT | |
| SCHEMBL2067454 | 0.88 | KCNH2 (0.82) | KCNH2CYP3A4PTGDR2MEN1LMNA | |
| SCHEMBL20121556 | 0.88 | KCNH2 (0.66) | KCNH2CYP3A4PTGDR2MEN1LMNA | |
| SCHEMBL12952054 | 0.87 | KCNH2 (0.70) | KCNH2CYP3A4PTGDR2MEN1KMT2A |
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-9963454-B2 | Compounds and compositions for the treatment of parasitic disease | NOVARTIS AG (CH) | 2018-05-08 | — | — | US | disclosed |