Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8746409 | 1.00 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL4863846 | 1.00 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL8916690 | 1.00 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL8746390 | 0.98 | CYP3A4 (0.39) | ALDH1A1CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL12695232 | 0.94 | CYP3A4 (0.43) | ALDH1A1CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL17355533 | 0.89 | CYP3A4 (0.37) | ALDH1A1CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL11463297 | 0.85 | GRM2 (0.45) | ALDH1A1CYP3A4TSHRLMNAGRM2 | |
| SCHEMBL10796056 | 0.85 | GRM2 (0.46) | ALDH1A1EPHX1GRM2 | |
| SCHEMBL10821991 | 0.84 | THRA (0.49) | ALDH1A1CYP3A4LMNA | |
| SCHEMBL8997251 | 0.83 | GRM2 (0.43) | ALDH1A1EPHX1GRM2CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5683623-A | FERROELECTRIC LIQUID CRYSTALS CELLS AND DEVICES FOR ELECTROOPTICAL APPARATUS | CENTRAL RESEARCH LABORATORIES LIMITED (GB) | 1997-11-04 | — | — | US | disclosed |
| EP-0662114-B1 | DIOXANE DERIVATIVES | CENTRAL RESEARCH LAB LTD (GB) | 1997-02-19 | — | — | EP | disclosed |
| EP-0662114-A1 | DIOXANE DERIVATIVES. | CENTRAL RESEARCH LAB LTD (GB) | 1995-07-12 | — | — | EP | disclosed |
| WO-1994006885-A1 | DIOXANE DERIVATIVES | CENTRAL RESEARCH LABORATORIES LIMITED (GB) | 1994-03-31 | — | — | WO | disclosed |