Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Enterodiol SCHEMBL120183 | 0.85 | ENPP2 (0.52) | CYP3A4MMP1ENPP2CYP2D6DRD2 | |
| Enterodiol SCHEMBL11271740 | 0.85 | ENPP2 (0.52) | CYP3A4MMP1ENPP2CYP2D6DRD2 | |
| Enterodiol SCHEMBL30334906 | 0.85 | ENPP2 (0.52) | CYP3A4MMP1ENPP2CYP2D6DRD2 | |
| Enterodiol SCHEMBL31171993 | 0.85 | ENPP2 (0.52) | CYP3A4MMP1ENPP2CYP2D6DRD2 | |
| Enterodiol SCHEMBL31171979 | 0.85 | ENPP2 (0.52) | CYP3A4MMP1ENPP2CYP2D6DRD2 | |
| Enterodiol SCHEMBL2641390 | 0.85 | ENPP2 (0.52) | CYP3A4MMP1ENPP2CYP2D6DRD2 | |
| Enterodiol SCHEMBL31171980 | 0.85 | ENPP2 (0.52) | CYP3A4MMP1ENPP2CYP2D6DRD2 | |
| SCHEMBL23728328 | 0.74 | ENPP2 (0.44) | CYP3A4MMP1ENPP2DRD2DRD1 | |
| Enterodiol SCHEMBL2806235 | 0.74 | TRPA1 (0.59) | CYP3A4MMP1ENPP2CYP2D6DRD2 | |
| Enterodiol SCHEMBL2987870 | 0.73 | OPRK1 (0.52) | DRD2DRD1OPRM1OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024059282-A1 | IMPROVED POLYMER COMPOSITES | WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) | 2024-03-21 | — | — | WO | disclosed |