Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10346703 | 0.89 | ALDH1A1 (0.63) | ALDH1A1TSHRPOLBMAPTGAA | |
| SCHEMBL10365830 | 0.82 | POLB (0.60) | ALDH1A1TSHRPOLBMAPTGAA | |
| SCHEMBL11438620 | 0.82 | CHRNB2 (0.58) | ALDH1A1TSHRPOLBMAPK1CHRNB2 | |
| SCHEMBL10346481 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TSHRPOLBMAPTGAA | |
| SCHEMBL6027881 | 0.81 | POLB (0.81) | ALDH1A1TSHRPOLBMAPTGAA | |
| SCHEMBL13866493 | 0.81 | POLB (0.81) | ALDH1A1TSHRPOLBMAPTGAA | |
| SCHEMBL27299325 | 0.80 | ALDH1A1 (0.71) | ALDH1A1TSHRPOLBMAPTGAA | |
| SCHEMBL10714188 | 0.80 | MAOB (0.50) | ALDH1A1TSHRPOLBMAPTGAA | |
| SCHEMBL7694702 | 0.80 | ALDH1A1 (0.64) | ALDH1A1TSHRPOLBMAPTGAA | |
| SCHEMBL7694701 | 0.80 | ALDH1A1 (0.64) | ALDH1A1TSHRPOLBMAPTGAA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4977148-A | THERMOGENIC STIMULANTS FOR OBESITY OR DIABETES | IMPERIAL CHEMICAL INDUSTRIES (GB) | 1990-12-11 | — | — | US | disclosed |
| EP-0210849-B1 | 2-HYDROXY-3-PHENOXYPROPYL AMINES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-08-29 | — | — | EP | disclosed |
| US-4927836-A | OBESITY | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-05-22 | — | — | US | disclosed |
| EP-0254532-B1 | AMIDE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-05-09 | — | — | EP | disclosed |
| US-4772631-A | Phenyl ethers | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-09-20 | — | — | US | disclosed |
| EP-0254532-A1 | Amide derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-01-27 | — | — | EP | disclosed |
| EP-0210849-A1 | 2-Hydroxy-3-phenoxypropyl amines | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-02-04 | — | — | EP | disclosed |