Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11866467 | 0.90 | KCNH2 (0.44) | KCNH2DRD2DRD1ADRA1ADRD3 | |
| Hydrochloric Acid SCHEMBL11859118 | 0.89 | KCNH2 (0.43) | KCNH2DRD2DRD1ADRA1ADRD3 | |
| SCHEMBL11862034 | 0.84 | SIGMAR1 (0.47) | KCNH2DRD2CYP2D6TSHRDRD1 | |
| Hydrochloric Acid SCHEMBL11862820 | 0.83 | SIGMAR1 (0.46) | KCNH2DRD2CYP2D6TSHRSIGMAR1 | |
| SCHEMBL11816574 | 0.81 | OPRM1 (0.36) | KCNH2DRD2SIGMAR1HTR2ASLC6A2 | |
| SCHEMBL11678333 | 0.78 | KCNH2 (0.50) | KCNH2DRD2TSHRDRD3THRA | |
| SCHEMBL11750577 | 0.76 | HTR2A (0.36) | DRD2HTR2ASLC6A2HTR2CSLC6A4 | |
| SCHEMBL11867670 | 0.75 | THRA (0.40) | DRD2CYP2D6TSHRDRD4DRD3 | |
| SCHEMBL20382803 | 0.74 | KCNH2 (0.46) | KCNH2DRD2CYP3A4CYP2D6TSHR | |
| SCHEMBL11678306 | 0.74 | KCNH2 (0.48) | KCNH2TSHRDRD1ADRA1ADRD3 |
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-3957988-A | Antiviral compositions containing bis-basic ketones of thioxanthene | RICHARDSON-MERRELL INC. (US) | 1976-05-18 | — | — | US | disclosed |