Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | APEX1 | P27695 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | ALPL | P05186 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.43 |
| ▸ | ALPG | P10696 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17359683 | 0.91 | KDM4E (0.54) | CYP3A4MAPK1ABCB1BACE1KDM4E | |
| SCHEMBL14700160 | 0.89 | CYP3A4 (0.54) | CYP3A4MAPK1ABCB1BACE1KDM4E | |
| SCHEMBL13508832 | 0.89 | CYP3A4 (0.56) | CYP3A4MAPK1ABCB1BACE1KDM4E | |
| SCHEMBL8249233 | 0.89 | CYP3A4 (0.56) | CYP3A4MAPK1ABCB1BACE1KDM4E | |
| SCHEMBL8247946 | 0.89 | CYP3A4 (0.56) | CYP3A4MAPK1ABCB1BACE1KDM4E | |
| SCHEMBL13508834 | 0.89 | CYP3A4 (0.56) | CYP3A4MAPK1ABCB1BACE1KDM4E | |
| SCHEMBL8240944 | 0.89 | CYP3A4 (0.56) | CYP3A4MAPK1ABCB1BACE1KDM4E | |
| SCHEMBL14404263 | 0.89 | CYP3A4 (0.56) | CYP3A4MAPK1ABCB1BACE1KDM4E | |
| SCHEMBL13077184 | 0.89 | CYP3A4 (0.56) | CYP3A4MAPK1ABCB1BACE1KDM4E | |
| SCHEMBL15918781 | 0.89 | CYP3A4 (0.56) | CYP3A4MAPK1ABCB1BACE1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2557079-A1 | Synthesis of catechin and epicatechin conjugates | Nestec S.A. (CH) | 2013-02-13 | — | — | EP | disclosed |