Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | KDM1A | O60341 | 9/20 | 0.42 |
| ▸ | EP300 | Q09472 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18664054 | 0.85 | TDP1 (0.45) | SLC6A2SLC6A4HTR3AKCNH2KDM1A | |
| SCHEMBL18639994 | 0.81 | HRH3 (0.40) | SLC6A4 | |
| SCHEMBL18640072 | 0.81 | HRH3 (0.41) | KCNH2 | |
| SCHEMBL18639855 | 0.81 | MEN1 (0.42) | MAOB | |
| SCHEMBL18639963 | 0.79 | ESR1 (0.36) | SLC6A4 | |
| SCHEMBL18639984 | 0.77 | TLR9 (0.39) | TLR9TLR8TLR7 | |
| SCHEMBL18639935 | 0.76 | SLC6A2 (0.62) | SLC6A2SLC6A4HTR3AKCNH2KDM1A | |
| SCHEMBL18639865 | 0.76 | TLR9 (0.40) | KCNH2TLR9TLR8TLR7 | |
| SCHEMBL18640285 | 0.76 | F10 (0.47) | KCNH2 | |
| SCHEMBL12192872 | 0.75 | IKBKB (0.52) | SLC6A2SLC6A4HTR3AKCNH2KDM1A |
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 |