Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.38 |
| ▸ | STS | P08842 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL15169318 | 0.81 | NR1H2 (0.34) | NR1H2NR1H3STSALDH1A1HCRTR1 | |
| SCHEMBL4550362 | 0.80 | NR1H2 (0.35) | NR1H2NR1H3STSMEN1KMT2A | |
| SCHEMBL4550776 | 0.77 | NR1H2 (0.40) | NR1H2NR1H3ALDH1A1KDM4EPDE4B | |
| SCHEMBL2729850 | 0.71 | MMP13 (0.34) | NR1H2NR1H3STSMEN1KMT2A | |
| SCHEMBL15179604 | 0.70 | EPHX2 (0.42) | NR1H2NR1H3STSALDH1A1KDM4E | |
| SCHEMBL15179608 | 0.70 | STS (0.42) | NR1H2NR1H3STSALDH1A1KDM4E | |
| SCHEMBL4550853 | 0.70 | ALDH1A1 (0.41) | NR1H2NR1H3STSALDH1A1MEN1 | |
| SCHEMBL15169526 | 0.70 | KDM4E (0.34) | NR1H2NR1H3STSALDH1A1KDM4E | |
| SCHEMBL15168837 | 0.69 | NR1H2 (0.37) | NR1H2NR1H3STSALDH1A1KDM4E | |
| SCHEMBL10210010 | 0.69 | NR1H2 (0.37) | NR1H2NR1H3STSALDH1A1KDM4E |
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 |