Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.34 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9778585 | 0.82 | ACSL1 (0.35) | CYSLTR2CYSLTR1MAOAMAOB | |
| SCHEMBL2314251 | 0.81 | MAOA (0.43) | MAOAMAOB | |
| SCHEMBL2197127 | 0.81 | BID (0.50) | CYSLTR2CYSLTR1 | |
| SCHEMBL2811299 | 0.81 | BID (0.50) | CYSLTR2CYSLTR1 | |
| SCHEMBL2501503 | 0.81 | BID (0.50) | CYSLTR2CYSLTR1 | |
| SCHEMBL9055787 | 0.81 | BID (0.50) | CYSLTR2CYSLTR1 | |
| SCHEMBL15519791 | 0.80 | MAOA (0.42) | MAOAMAOB | |
| Ammonia Solution, Strong SCHEMBL11609491 | 0.80 | BID (0.49) | CYSLTR2CYSLTR1 | |
| SCHEMBL9988784 | 0.80 | HDAC3 (0.36) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL9778781 | 0.79 | ACSL1 (0.38) | ALDH1A1MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2176218-A2 | STEREOISOMERS OF TRICYCLODECAN-9-YL-XANTHOGENATE | Lumavita AG (CH) | 2010-04-21 | — | — | EP | claimed |
| WO-2009003711-A2 | STEREOISOMERS OF TRICYCLODECAN-9-YL-XANTHOGENATE | SHOGOO PHARMACEUTICALS AG (CH) | 2009-01-08 | — | — | WO | claimed |
| EP-2176218-A2 | STEREOISOMERS OF TRICYCLODECAN-9-YL-XANTHOGENATE | Lumavita AG (CH) | 2010-04-21 | — | — | EP | disclosed |
| WO-2009003711-A2 | STEREOISOMERS OF TRICYCLODECAN-9-YL-XANTHOGENATE | SHOGOO PHARMACEUTICALS AG (CH) | 2009-01-08 | — | — | WO | disclosed |