Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 5/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7645998 | 1.00 | CHRNA7 (0.44) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6948689 | 1.00 | CHRNA7 (0.44) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL25199601 | 0.94 | CHRNA7 (0.49) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL21061806 | 0.94 | CHRNA7 (0.49) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6941416 | 0.88 | CHRNA7 (0.43) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL989553 | 0.86 | CYP2D6 (0.52) | CYP2D6MEN1KMT2ACYP3A4CYP2C19 | |
| SCHEMBL22553706 | 0.86 | CYP2D6 (0.52) | CYP2D6MEN1KMT2ACYP3A4CYP2C19 | |
| SCHEMBL6952212 | 0.85 | CYP2D6 (0.45) | CYP2D6MEN1KMT2ACYP3A4CYP2C19 | |
| SCHEMBL6952074 | 0.80 | CYP2D6 (0.47) | CYP2D6MEN1KMT2ACYP3A4CYP2C19 | |
| SCHEMBL6946798 | 0.80 | CYP2D6 (0.47) | CYP2D6MEN1KMT2ACYP3A4CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1235832-B1 | VITAMIN D PRESCURSORS, METHOD AND INTERMEDIATES | THERAMEX (MC) | 2003-11-19 | — | — | EP | disclosed |
| EP-1106618-A1 | Precursors of the A-ring of vitamin D, and method and intermediates for the preparation thereof | LABORATOIRE THERAMEX (MC) | 2001-06-13 | — | — | EP | disclosed |
| US-6191292-B1 | ENZYMATIC ESTERIFICATION OF A DIOL, E.G., METHYL-3-ACETOXY-5-HYDROXY-CYCLOHEXANECARBOXYLATE BY A LIPASE AND VINYL ALKANOATE OR AN ACID ANHYDRIDE; CYCLIZATION TO A BICYCLIC(3.1.0)HEXANE DERIVATIVE | LABORATOIRE THERAMEX (MC) | 2001-02-20 | — | — | US | disclosed |