Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | EGLN2 | Q96KS0 | 3/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | OXTR | P30559 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3434435 | 0.90 | KCNH2 (0.33) | KCNH2CYP19A1LRRK2GSK3AGSK3B | |
| SCHEMBL3394362 | 0.86 | PTGES (0.37) | GSK3AGSK3BCYP1A2HSD17B10 | |
| SCHEMBL3433177 | 0.80 | KCNH2 (0.36) | KCNH2CYP19A1LRRK2GSK3AGSK3B | |
| SCHEMBL3395404 | 0.77 | KCNH2 (0.47) | KCNH2LRRK2GSK3AGSK3BCYP1A2 | |
| SCHEMBL3392275 | 0.75 | KCNH2 (0.46) | KCNH2LRRK2EGLN2OXTR | |
| SCHEMBL3434686 | 0.72 | KCNH2 (0.44) | KCNH2CYP19A1LRRK2GSK3AGSK3B | |
| SCHEMBL3432960 | 0.72 | KCNH2 (0.43) | KCNH2CYP19A1LRRK2EGLN2TNIK | |
| Hydrochloric Acid SCHEMBL3395604 | 0.72 | KCNH2 (0.43) | KCNH2CYP19A1LRRK2GSK3AGSK3B | |
| SCHEMBL3393481 | 0.72 | MAPT (0.38) | LRRK2S1PR1TNIKCASP1CASP7 | |
| Hydrochloric Acid SCHEMBL3432843 | 0.71 | KCNH2 (0.42) | KCNH2LRRK2EGLN2TNIKCYP11B1 |
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-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |