Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8942320 | 1.00 | CYP3A4 (0.47) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL8942198 | 0.86 | APP (0.50) | ESR1MAPTHCAR2 | |
| SCHEMBL8942199 | 0.86 | APP (0.50) | ESR1MAPTHCAR2 | |
| SCHEMBL9796782 | 0.86 | CNKSR1 (0.46) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL9796785 | 0.86 | CNKSR1 (0.46) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL12885875 | 0.82 | CNKSR1 (0.47) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL8915195 | 0.82 | STAT3 (0.45) | CYP3A4TTRDPP4PKMALDH1A1 | |
| SCHEMBL8915201 | 0.82 | STAT3 (0.45) | CYP3A4TTRDPP4PKMALDH1A1 | |
| SCHEMBL757937 | 0.81 | CYP3A4 (0.51) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL757936 | 0.81 | CYP3A4 (0.51) | CYP3A4TTRDPP4CA12CA1 |
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-5516932-A | Halogenated cinnamic acids and esters thereof, processes for the preparation thereof and halogenated aryldiazonium salts | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-05-14 | — | — | US | disclosed |