Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.37 |
| ▸ | SPR | P35270 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3134335 | 0.89 | CHRM4 (0.38) | CHRM4MGLL | |
| SCHEMBL2012686 | 0.88 | HDAC1 (0.40) | HDAC1HDAC2HDAC3CYP2C9SLC6A4 | |
| SCHEMBL2007485 | 0.86 | FNTA (0.45) | HDAC1CYP2C9IDH1 | |
| SCHEMBL2010214 | 0.85 | MLNR (0.46) | HDAC1HDAC2HDAC3CYP2C9SLC6A4 | |
| SCHEMBL2011041 | 0.76 | MLNR (0.42) | — | |
| SCHEMBL3128941 | 0.76 | MGLL (0.36) | CYP2C9CHRM4MGLL | |
| SCHEMBL14646619 | 0.76 | PDK1 (0.59) | HDAC1HDAC2HDAC3CYP2C9SLC6A4 | |
| SCHEMBL1704651 | 0.74 | PDK1 (0.46) | HDAC1HDAC2HDAC3CYP2C9SLC6A4 | |
| SCHEMBL1704653 | 0.74 | PDK1 (0.46) | HDAC1HDAC2HDAC3CYP2C9SLC6A4 | |
| SCHEMBL2002644 | 0.73 | FNTA (0.42) | HDAC1HDAC2HDAC3CYP2C9IDH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7964602-B2 | Biaryl compounds useful as agonists of the Gpr38 receptor | GLAXO GROUP LIMITED (GB) | 2011-06-21 | — | — | US | disclosed |