Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 2/20 | 0.32 |
| ▸ | MMP9 | P14780 | 2/20 | 0.32 |
| ▸ | MMP13 | P45452 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | STS | P08842 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP7 | P09237 | 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 | |
|---|---|---|---|---|
| SCHEMBL6946798 | 0.86 | CYP2D6 (0.47) | CYP2D6POLBCA2CA1TSHR | |
| SCHEMBL6952239 | 0.86 | CYP2D6 (0.47) | CYP2D6POLBCA2CA1TSHR | |
| SCHEMBL6952074 | 0.86 | CYP2D6 (0.47) | CYP2D6POLBCA2CA1TSHR | |
| SCHEMBL6941416 | 0.80 | CHRNA7 (0.43) | STS | |
| SCHEMBL10024491 | 0.80 | CYP2D6 (0.35) | CYP2D6NAAALMNAMAPTHTT | |
| SCHEMBL22553706 | 0.79 | CYP2D6 (0.52) | CYP2D6NAAAPOLBCA2CA1 | |
| SCHEMBL989553 | 0.79 | CYP2D6 (0.52) | CYP2D6NAAAPOLBCA2CA1 | |
| SCHEMBL6950985 | 0.75 | POLB (0.32) | RORCPOLBSTS | |
| SCHEMBL11027801 | 0.73 | CYP2D6 (0.56) | CYP2D6NAAALMNAMMP2CA12 | |
| SCHEMBL20203253 | 0.73 | CYP2D6 (0.56) | CYP2D6NAAALMNAMMP2CA12 |
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 |