Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | MMP3 | P08254 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.31 |
| ▸ | SGPL1 | O95470 | 2/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP14 | P50281 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10779135 | 1.00 | MAPT (0.36) | MAPTGAACYP2C9CYP3A4CYP2C8 | |
| SCHEMBL10779128 | 1.00 | MAPT (0.36) | MAPTGAACYP2C9CYP3A4CYP2C8 | |
| SCHEMBL10776786 | 0.99 | GAA (0.35) | MAPTGAACYP2C9CYP3A4CYP2C8 | |
| SCHEMBL10775537 | 0.99 | GAA (0.38) | MAPTGAACYP2C9CYP3A4CYP2C8 | |
| SCHEMBL10776781 | 0.99 | GAA (0.35) | MAPTGAACYP2C9CYP3A4CYP2C8 | |
| SCHEMBL10776791 | 0.99 | GAA (0.35) | MAPTGAACYP2C9CYP3A4CYP2C8 | |
| SCHEMBL10775533 | 0.99 | GAA (0.38) | MAPTGAACYP2C9CYP3A4CYP2C8 | |
| SCHEMBL10775540 | 0.99 | GAA (0.38) | MAPTGAACYP2C9CYP3A4CYP2C8 | |
| SCHEMBL10780792 | 0.98 | CYP2C9 (0.36) | MAPTGAACYP2C9CYP3A4CYP2C8 | |
| SCHEMBL10501477 | 0.98 | CYP2C9 (0.36) | MAPTGAACYP2C9CYP3A4CYP2C8 |
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 |
|---|---|---|---|---|---|---|---|
| US-4704227-A | DERIVATIVES OF 1,3-DIOXANE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-11-03 | — | — | US | disclosed |
| EP-0154840-A2 | Liquid crystal compounds | MERCK PATENT GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |