Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 4/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18663983 | 1.00 | PIK3CD (0.45) | PIK3CDHRH3ACHESIGMAR1DRD2 | |
| SCHEMBL18664096 | 1.00 | PIK3CD (0.45) | PIK3CDHRH3ACHESIGMAR1DRD2 | |
| SCHEMBL18663989 | 0.86 | PIK3CD (0.43) | PIK3CDHRH3SIGMAR1CYP2D6SMN1; SMN2 | |
| SCHEMBL15142980 | 0.81 | — | — | |
| SCHEMBL18663984 | 0.81 | ARG1 (0.34) | PIK3CDSIGMAR1DRD2ALDH1A1 | |
| SCHEMBL18663988 | 0.81 | ARG1 (0.34) | PIK3CDSIGMAR1DRD2ALDH1A1 | |
| SCHEMBL18663997 | 0.81 | ARG1 (0.34) | PIK3CDSIGMAR1DRD2ALDH1A1 | |
| SCHEMBL12448180 | 0.80 | PIK3CD (0.47) | PIK3CDHRH3ACHESIGMAR1KDM4E | |
| SCHEMBL10130209 | 0.80 | PIK3CD (0.47) | PIK3CDHRH3ACHESIGMAR1KDM4E | |
| SCHEMBL10130181 | 0.80 | PIK3CD (0.47) | PIK3CDHRH3ACHESIGMAR1KDM4E |
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 |