Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | ABCB1 | P08183 | 10/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.45 |
| ▸ | STING1 | Q86WV6 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14700145 | 0.95 | ALDH1A1 (0.56) | ALDH1A1CYP3A4MAPK1SMN1; SMN2ABCB1 | |
| SCHEMBL14700152 | 0.93 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1SMN1; SMN2ABCB1 | |
| SCHEMBL14700131 | 0.93 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1SMN1; SMN2ABCB1 | |
| SCHEMBL14701450 | 0.93 | ALDH1A1 (0.63) | ALDH1A1CYP3A4MAPK1SMN1; SMN2ABCB1 | |
| SCHEMBL14701477 | 0.91 | ALDH1A1 (0.61) | ALDH1A1CYP3A4MAPK1SMN1; SMN2ABCB1 | |
| SCHEMBL13508825 | 0.84 | ALDH1A1 (0.52) | ALDH1A1CYP3A4MAPK1SMN1; SMN2ABCB1 | |
| SCHEMBL14701476 | 0.82 | ABCB1 (0.50) | ALDH1A1CYP3A4MAPK1SMN1; SMN2ABCB1 | |
| SCHEMBL5367055 | 0.81 | CYP3A4 (0.84) | ALDH1A1CYP3A4MAPK1SMN1; SMN2ABCB1 | |
| SCHEMBL16160532 | 0.80 | ALDH1A1 (0.49) | ALDH1A1CYP3A4MAPK1SMN1; SMN2ABCB1 | |
| SCHEMBL14700159 | 0.80 | CYP3A4 (0.59) | ALDH1A1CYP3A4MAPK1SMN1; SMN2ABCB1 |
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 |