Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | SYNJ2 | O15056 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | APEX1 | P27695 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 2/20 | 0.40 |
| ▸ | ALPL | P05186 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 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 | |
|---|---|---|---|---|
| SCHEMBL20169865 | 1.00 | CYP3A4 (0.47) | CYP3A4MAPK1ABCB1SYNJ2BACE1 | |
| SCHEMBL20169882 | 1.00 | CYP3A4 (0.47) | CYP3A4MAPK1ABCB1SYNJ2BACE1 | |
| SCHEMBL20169883 | 1.00 | CYP3A4 (0.47) | CYP3A4MAPK1ABCB1SYNJ2BACE1 | |
| SCHEMBL13507904 | 0.91 | CYP3A4 (0.50) | CYP3A4MAPK1ABCB1SYNJ2BACE1 | |
| SCHEMBL9101384 | 0.91 | CYP3A4 (0.50) | CYP3A4MAPK1ABCB1SYNJ2BACE1 | |
| SCHEMBL24983638 | 0.91 | CYP3A4 (0.50) | CYP3A4MAPK1ABCB1SYNJ2BACE1 | |
| SCHEMBL13507373 | 0.91 | CYP3A4 (0.50) | CYP3A4MAPK1ABCB1SYNJ2BACE1 | |
| SCHEMBL4640426 | 0.91 | CYP3A4 (0.50) | CYP3A4MAPK1ABCB1SYNJ2BACE1 | |
| SCHEMBL13507688 | 0.91 | CYP3A4 (0.50) | CYP3A4MAPK1ABCB1SYNJ2BACE1 | |
| SCHEMBL3669026 | 0.91 | CYP3A4 (0.50) | CYP3A4MAPK1ABCB1SYNJ2BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2981260-B1 | NOVEL ANALOGUES OF EPICATECHIN AND RELATED POLYPHENOLS | SPHAERA PHARMA PRIVATE LTD (IN) | 2021-01-13 | — | — | EP | disclosed |
| US-9975869-B2 | Analogues of epicatechin and related polyphenols | SPHAERA PHARMA PVT. LTD. (IN) | 2018-05-22 | — | — | US | disclosed |