Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.35 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.35 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.35 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.35 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.35 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.35 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.35 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.35 |
| ▸ | CCR5 | P51681 | 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 | |
|---|---|---|---|---|
| SCHEMBL8945086 | 0.91 | HTR2C (0.43) | HTR2CDRD2DRD1DRD4DRD5 | |
| SCHEMBL8945045 | 0.89 | DRD2 (0.42) | HTR2CDRD2DRD1DRD4DRD5 | |
| SCHEMBL8945156 | 0.88 | DRD1 (0.41) | HTR2CDRD2DRD1DRD4DRD5 | |
| SCHEMBL8945134 | 0.88 | SIGMAR1 (0.37) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL8945345 | 0.87 | DRD1 (0.40) | HTR2CDRD2DRD1DRD4DRD5 | |
| SCHEMBL8945256 | 0.87 | DRD1 (0.40) | HTR2CDRD2DRD1DRD4DRD5 | |
| SCHEMBL8945353 | 0.87 | DRD1 (0.40) | HTR2CDRD2DRD1DRD4DRD5 | |
| SCHEMBL8944937 | 0.86 | KDM1A (0.43) | HTR2CDRD4HTR2AHTR2BCCR5 | |
| SCHEMBL8945283 | 0.85 | DRD2 (0.44) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL8945278 | 0.85 | HTR2C (0.46) | HTR2CDRD2DRD1DRD4DRD5 |
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 |