Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.33 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11326625 | 0.87 | HSPA1A (0.40) | EGFRIDO1HSPA1APTPN7TDP1 | |
| SCHEMBL11340291 | 0.82 | EGFR (0.36) | EGFRHSPA1APTPN7TDP1HSD17B10 | |
| SCHEMBL11341215 | 0.79 | ALDH1A1 (0.41) | TDP1 | |
| SCHEMBL11341735 | 0.79 | HTT (0.36) | — | |
| SCHEMBL11338345 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL19420170 | 0.66 | PARP1 (0.39) | HSD17B10 | |
| SCHEMBL11475194 | 0.62 | PARP1 (0.38) | — | |
| SCHEMBL3632996 | 0.62 | EGFR (0.42) | EGFRSRCATMIDO1TDO2 | |
| SCHEMBL28249684 | 0.60 | ALDH1A1 (0.47) | ATMHSD17B10 | |
| SCHEMBL11330150 | 0.58 | GAA (0.43) | — |
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 |