Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | RARB | P10826 | 6/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.37 |
| ▸ | TPMT | P51580 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | SELL | P14151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7544521 | 0.94 | RARB (0.42) | TTRCA12CA1CA2CA7 | |
| SCHEMBL27388069 | 0.94 | RARB (0.42) | TTRCA12CA1CA2CA7 | |
| SCHEMBL27705242 | 0.87 | TTR (0.41) | TTRCA12CA1CA2CA7 | |
| SCHEMBL16749638 | 0.82 | CA12 (0.48) | TTRCA12CA1CA2CA7 | |
| SCHEMBL27829550 | 0.81 | CYP4A11 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL914005 | 0.79 | RARB (0.59) | RARBALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL1831978 | 0.79 | RARB (0.59) | RARBALDH1A1MAPTTP53HSD17B10 | |
| SCHEMBL28187075 | 0.79 | CA12 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL38657806 | 0.78 | RARB (0.36) | TTRCA12CA1CA2CA7 | |
| SCHEMBL1866724 | 0.78 | TTR (0.44) | TTRCA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108025002-A | Six-membered azaheterocyclic containing opioid receptor modulating compounds, methods of use and preparation thereof | 特维娜有限公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-102036955-B | Hydroxamate-based inhibitors of deacetylase B | NOVARTIS AG | 2013-03-27 | — | — | CN | disclosed |
| CN-102036955-A | Hydroxamate-based inhibitors of deacetylase B | NOVARTIS AG | 2011-04-27 | — | — | CN | disclosed |