Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.50 |
| ▸ | HTR7 | P34969 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | DRD4 | P21917 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 7/20 | 0.45 |
| ▸ | MMP1 | P03956 | 4/20 | 0.45 |
| ▸ | MMP3 | P08254 | 3/20 | 0.45 |
| ▸ | ADAM17 | P78536 | 3/20 | 0.45 |
| ▸ | ADAM9 | Q13443 | 2/20 | 0.45 |
| ▸ | AREG | P15514 | 1/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.44 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.44 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6920302 | 0.89 | HDAC8 (0.53) | HDAC8MMP9MMP1MMP3ADAM17 | |
| SCHEMBL6820388 | 0.85 | HDAC8 (0.48) | HDAC8MMP9MMP1MMP3ADAM17 | |
| SCHEMBL28294262 | 0.81 | OPRM1 (0.44) | HTR1AHTR7MMP3OPRM1 | |
| SCHEMBL7127952 | 0.79 | SIGMAR1 (0.47) | SIGMAR1OPRM1 | |
| SCHEMBL32677056 | 0.77 | HTR1A (0.44) | HTR1AHTR7MMP9OPRM1 | |
| SCHEMBL7533950 | 0.76 | KDM4E (0.50) | HTR1AHDAC8SIRT2SIRT1DRD4 | |
| SCHEMBL7533954 | 0.76 | KDM4E (0.50) | HTR1AHDAC8SIRT2SIRT1DRD4 | |
| SCHEMBL8383113 | 0.75 | GP6 (0.63) | ALDH1A1MMP3 | |
| SCHEMBL7478005 | 0.74 | ACE (0.49) | ALDH1A1MMP3 | |
| SCHEMBL29870443 | 0.74 | ACE (0.49) | ALDH1A1MMP3 |
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-2004041816-A1 | AZACYCLIC COMPOUNDS AS OREXIN RECEPTOR ANTAGONIST | GLAXO GROUP LIMITED (GB) | 2004-05-21 | — | — | WO | disclosed |