Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.74 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TOP2A | P11388 | 3/20 | 0.46 |
| ▸ | TOP2B | Q02880 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.44 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2738953 | 0.89 | KCNH2 (0.69) | KCNH2HRH3KDM4EALDH1A1LMNA | |
| SCHEMBL10109120 | 0.88 | KCNH2 (0.70) | KCNH2HRH3KDM4EALDH1A1LMNA | |
| SCHEMBL12665467 | 0.88 | KCNH2 (0.70) | KCNH2HRH3KDM4EALDH1A1LMNA | |
| SCHEMBL8556904 | 0.87 | KCNH2 (0.71) | KCNH2HRH3KDM4EALDH1A1LMNA | |
| SCHEMBL2738955 | 0.87 | KCNH2 (0.66) | KCNH2HRH3KDM4EALDH1A1LMNA | |
| SCHEMBL218555 | 0.86 | KCNH2 (0.65) | KCNH2HRH3KDM4EALDH1A1LMNA | |
| SCHEMBL8102436 | 0.86 | KCNH2 (0.70) | KCNH2HRH3KDM4EALDH1A1LMNA | |
| Grepafloxacin SCHEMBL29695614 | 0.85 | KCNH2 (1.00) | KCNH2HRH3KDM4EALDH1A1LMNA | |
| Grepafloxacin SCHEMBL34157 | 0.85 | KCNH2 (1.00) | KCNH2HRH3KDM4EALDH1A1LMNA | |
| Grepafloxacin SCHEMBL34155 | 0.85 | KCNH2 (1.00) | KCNH2HRH3KDM4EALDH1A1LMNA |
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-2008097546-A2 | COMPOUNDS THAT INHIBIT CHOLINESTERASE | COLUCID PHARMACEUTICALS, INC. (US) | 2008-08-14 | — | — | WO | disclosed |