Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | MBOAT4 | Q96T53 | 5/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 2/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6284884 | 0.79 | CYP2D6 (0.43) | CYP2D6SLC6A2SLC6A4NOS2MEN1 | |
| SCHEMBL6050132 | 0.78 | NOS2 (0.46) | HDAC1CYP2D6SLC6A2SLC6A4NOS2 | |
| SCHEMBL15831901 | 0.77 | XDH (0.43) | HDAC1XDH | |
| SCHEMBL6278732 | 0.77 | HDAC1 (0.36) | HDAC1CYP2D6SLC6A2SLC6A4NOS2 | |
| SCHEMBL31417638 | 0.73 | HDAC1 (0.41) | HDAC1CYP2D6SLC6A2SLC6A4NOS2 | |
| SCHEMBL15831920 | 0.72 | L3MBTL1 (0.43) | HDAC1MEN1KMT2AMBOAT4GPR119 | |
| SCHEMBL15831912 | 0.71 | GAA (0.42) | HDAC1MEN1KMT2AMBOAT4GAA | |
| SCHEMBL15831921 | 0.70 | ALDH1A1 (0.45) | HDAC1MBOAT4GAAL3MBTL1 | |
| SCHEMBL15831902 | 0.70 | HDAC1 (0.41) | HDAC1MEN1KMT2AMBOAT4GPR119 | |
| SCHEMBL15831907 | 0.70 | HDAC1 (0.43) | HDAC1MEN1KMT2ARXFP1MBOAT4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2005501834-A | — | — | 2005-01-20 | — | — | JP | claimed |
| EP-1414802-A1 | HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | AstraZeneca AB (SE) | 2004-05-06 | — | — | EP | claimed |
| WO-2003011830-A1 | HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2003-02-13 | — | — | WO | claimed |
| EP-1414802-A1 | HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | AstraZeneca AB (SE) | 2004-05-06 | — | — | EP | disclosed |
| WO-2003011830-A1 | HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2003-02-13 | — | — | WO | disclosed |