Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.59 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | APEX1 | P27695 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | ALPL | P05186 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1973504 | 0.86 | CYP3A4 (0.80) | CYP3A4MAPK1ABCB1PTGS1MAPK14 | |
| SCHEMBL14700160 | 0.81 | CYP3A4 (0.54) | CYP3A4MAPK1ABCB1PTGS1MAPK14 | |
| SCHEMBL1975181 | 0.81 | CYP3A4 (0.68) | CYP3A4MAPK1ABCB1PTGS1MAPK14 | |
| SCHEMBL862097 | 0.81 | CYP3A4 (0.68) | CYP3A4MAPK1ABCB1PTGS1MAPK14 | |
| SCHEMBL25246785 | 0.80 | CYP3A4 (0.78) | CYP3A4MAPK1ABCB1PTGS1MAPK14 | |
| SCHEMBL862416 | 0.80 | CYP3A4 (0.78) | CYP3A4MAPK1ABCB1PTGS1MAPK14 | |
| SCHEMBL14701420 | 0.80 | CYP3A4 (0.64) | CYP3A4MAPK1ABCB1MAPTALDH1A1 | |
| SCHEMBL862117 | 0.80 | BACE1 (0.63) | CYP3A4MAPK1ABCB1PTGS1MAPK14 | |
| SCHEMBL30350332 | 0.80 | ALDH1A1 (0.62) | CYP3A4KDM4EGAAMAPTMEN1 | |
| SCHEMBL23202794 | 0.80 | ALDH1A1 (0.62) | CYP3A4KDM4EGAAMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110294732-A | Medical compounds and its application for treating hepatopathy | 江苏新元素医药科技有限公司 | 2019-10-01 | — | — | CN | disclosed |