Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 14/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | GHSR | Q92847 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3134470 | 0.90 | MLNR (0.50) | MLNRCYP3A4CYP2D6GHSRCCR1 | |
| SCHEMBL2011342 | 0.90 | MLNR (0.45) | MLNRCYP3A4CYP2D6GHSRCYP2C9 | |
| SCHEMBL2009575 | 0.85 | HDAC1 (0.42) | HDAC1HDAC3CYP2C9SLC6A4SLC6A3 | |
| SCHEMBL2012686 | 0.82 | HDAC1 (0.40) | HDAC1HDAC3CYP2C9SLC6A4SLC6A3 | |
| SCHEMBL2010299 | 0.80 | MLNR (0.68) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL2013240 | 0.80 | MLNR (0.69) | MLNRCYP3A4CYP2D6GHSR | |
| Hydrochloric Acid SCHEMBL2003648 | 0.79 | MLNR (0.68) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL1703977 | 0.77 | MLNR (0.64) | MLNRCYP3A4CYP2D6PDK1PDK2 | |
| SCHEMBL3138703 | 0.77 | MLNR (0.53) | MLNRCYP3A4CYP2D6GHSR | |
| Hydrochloric Acid SCHEMBL2008327 | 0.76 | MLNR (0.52) | MLNRCYP3A4CYP2D6GHSR |
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 |