Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945154 | 0.89 | EPHX2 (0.45) | HTR1DEPHX2BACE1NOS3NOS1 | |
| SCHEMBL8945128 | 0.86 | CYP2C9 (0.35) | PDE4APDE4BPDE4CPDE4DDHFR | |
| SCHEMBL8945557 | 0.84 | HTR1D (0.39) | HTR1DBACE1NOS3NOS1NOS2 | |
| SCHEMBL8945090 | 0.84 | CYP2C9 (0.47) | DHFRALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL8945214 | 0.82 | HTR1D (0.42) | HTR1DBACE1PRMT5WDR77ACMSD | |
| SCHEMBL7751400 | 0.78 | ALDH1A1 (0.54) | BACE1NOS3NOS1NOS2EPHX1 | |
| SCHEMBL8945103 | 0.77 | SPHK1 (0.37) | EPHX2ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL31175767 | 0.77 | TSHR (0.50) | BACE1DHFRALDH1A1TDP1CYP3A4 | |
| SCHEMBL2596069 | 0.77 | TSHR (0.50) | BACE1DHFRALDH1A1TDP1CYP3A4 | |
| SCHEMBL8945275 | 0.76 | SPHK1 (0.36) | EPHX2ALDH1A1TDP1CYP3A4TSHR |
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-5501884-A | Diamino compounds and their production method and liquid crystal alignment layers using the compounds | CHISSO CORPORATION (JP) | 1996-03-26 | — | — | US | disclosed |