Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HNF4A | P41235 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | HSPA1A | P0DMV8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11341735 | 0.86 | HTT (0.36) | CYP2D6 | |
| SCHEMBL11341215 | 0.86 | ALDH1A1 (0.41) | CYP2D6POLBALDH1A1KDM4EHPGD | |
| SCHEMBL11338345 | 0.84 | ALDH1A1 (0.35) | CYP2D6ALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL11326625 | 0.83 | HSPA1A (0.40) | EGFRHNF4AGAAALDH1A1HSPA1A | |
| SCHEMBL11344880 | 0.82 | EGFR (0.37) | EGFRHSD17B10HSPA1APTPN7TDP1 | |
| SCHEMBL19960632 | 0.69 | EGFR (0.43) | EGFRCYP2D6POLBALDH1A1KDM4E | |
| SCHEMBL28000462 | 0.68 | EGFR (0.41) | EGFRCYP2D6HNF4AGAAPOLB | |
| SCHEMBL7041544 | 0.66 | EGFR (0.42) | EGFRCYP2D6HNF4AGAAPOLB | |
| Hydrochloric Acid SCHEMBL10441103 | 0.66 | EGFR (0.40) | EGFRCYP2D6HNF4AGAAPOLB | |
| SCHEMBL8482165 | 0.65 | CYP2D6 (0.46) | CYP2D6GAAPOLBALDH1A1SLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4268510-A | DEMETHANIZATION, METABOLISM, RUMEN | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-05-19 | — | — | US | disclosed |
| EP-0010348-A1 | Heterocyclic trichloromethyl derivatives, process for their preparation and their use | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1980-04-30 | — | — | EP | disclosed |