Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | HTR1D | P28221 | 2/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 3/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945085 | 0.89 | HTR1D (0.39) | EPHX2HTR1DBACE1NOS3NOS1 | |
| SCHEMBL8945103 | 0.88 | SPHK1 (0.37) | EPHX2SPHK1ALDH1A1CYP3A4TSHR | |
| SCHEMBL8945275 | 0.87 | SPHK1 (0.36) | EPHX2SPHK1ALDH1A1CYP3A4TSHR | |
| SCHEMBL8945434 | 0.86 | CYP2C9 (0.43) | EPHX2SPHK1ALDH1A1CYP3A4TSHR | |
| SCHEMBL8945557 | 0.82 | HTR1D (0.39) | HTR1DBACE1NOS3NOS1NOS2 | |
| SCHEMBL8945214 | 0.80 | HTR1D (0.42) | HTR1DBACE1NUDT1ALDH1A1CYP3A4 | |
| SCHEMBL11206599 | 0.78 | TSHR (0.46) | ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8945176 | 0.77 | EPHX2 (0.43) | EPHX2HTR1DBACE1NOS3NOS1 | |
| SCHEMBL8945090 | 0.77 | CYP2C9 (0.47) | SPHK1ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8095814 | 0.77 | CYP3A4 (0.50) | ALDH1A1CYP3A4TSHRTDP1 |
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 |