Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 4/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL18639865 | 0.89 | TLR9 (0.40) | HRH3CYP2D6KCNH2MEN1KMT2A | |
| SCHEMBL18639984 | 0.86 | TLR9 (0.39) | HRH3MEN1KMT2AL3MBTL1 | |
| SCHEMBL18639994 | 0.82 | HRH3 (0.40) | HRH3MEN1KMT2AL3MBTL1 | |
| SCHEMBL18639855 | 0.82 | MEN1 (0.42) | MEN1KMT2AL3MBTL1 | |
| SCHEMBL18640010 | 0.81 | SLC6A2 (0.43) | KCNH2 | |
| SCHEMBL18639963 | 0.80 | ESR1 (0.36) | HRH3MEN1KMT2AL3MBTL1CYP4F2 | |
| SCHEMBL18640110 | 0.78 | HRH3 (0.40) | HRH3CYP2D6KCNH2PARP15PARP10 | |
| SCHEMBL18664392 | 0.78 | CTSS (0.34) | HRH3CYP2D6 | |
| SCHEMBL18640285 | 0.77 | F10 (0.47) | KCNH2MEN1KMT2AL3MBTL1 | |
| SCHEMBL18640105 | 0.76 | HRH3 (0.38) | HRH3CYP2D6PARP15PARP10 |
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-2017045751-A1 | COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | WO | disclosed |