Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.32 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.32 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.32 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.32 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.32 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.32 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.32 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945172 | 0.90 | SIGMAR1 (0.35) | DHFRDRD2TRPA1KDM1AMAOA | |
| SCHEMBL8945105 | 0.76 | DRD2 (0.44) | DHFRDRD2SPHK1MAOAMAOB | |
| SCHEMBL8945176 | 0.72 | EPHX2 (0.43) | SPHK1PPARGMEN1KMT2A | |
| SCHEMBL8945000 | 0.71 | SPHK1 (0.41) | SPHK1 | |
| SCHEMBL8945207 | 0.69 | CYP2C9 (0.47) | SPHK1MEN1KMT2A | |
| SCHEMBL8945278 | 0.68 | HTR2C (0.46) | DRD2ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL8945344 | 0.68 | KDM1A (0.39) | KDM1AMAOBHTR2ADRD4 | |
| SCHEMBL9758949 | 0.67 | SPHK1 (0.46) | SPHK1 | |
| SCHEMBL9758955 | 0.67 | SPHK1 (0.46) | SPHK1 | |
| SCHEMBL9757863 | 0.67 | DRD2 (0.45) | DRD2SPHK1TRPA1KDM1AMAOA |
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 |