Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 3/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10210010 | 0.82 | NR1H2 (0.37) | NR1H2NR1H3KDM4EALDH1A1USP30 | |
| SCHEMBL15168837 | 0.82 | NR1H2 (0.37) | NR1H2NR1H3KDM4EALDH1A1USP30 | |
| SCHEMBL4550362 | 0.80 | NR1H2 (0.35) | NR1H2NR1H3USP30PTPN1L3MBTL1 | |
| SCHEMBL15169774 | 0.80 | NR1H2 (0.38) | NR1H2NR1H3KDM4EALDH1A1HTR2A | |
| SCHEMBL4550855 | 0.77 | NR1H2 (0.38) | NR1H2NR1H3KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL23865354 | 0.72 | RIPK1 (0.43) | NTRK1ALDH1A1SLC6A3APPHTR1A | |
| SCHEMBL4550833 | 0.71 | STS (0.38) | NR1H2NR1H3KDM4EALDH1A1OPRK1 | |
| SCHEMBL4550853 | 0.71 | ALDH1A1 (0.41) | NR1H2NR1H3ALDH1A1OPRK1USP30 | |
| SCHEMBL21319501 | 0.69 | NPSR1 (0.52) | NTRK1ALDH1A1SLC6A3APPHTR1A | |
| SCHEMBL29525364 | 0.69 | NTRK1 (0.50) | NTRK1SLC6A3APPHTR1AADRA2A |
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-2012061019-A2 | TRICYCLIC MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-10 | — | — | WO | disclosed |