Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL28098347 | 0.84 | TSHR (0.50) | TSHREPHX2MEN1KMT2AGAA | |
| SCHEMBL4975642 | 0.81 | TSHR (0.70) | TSHREPHX2KMT2AGAAEPHX1 | |
| SCHEMBL6130353 | 0.78 | GAA (0.46) | TSHREPHX2GAALMNAHDAC1 | |
| SCHEMBL4973914 | 0.76 | GAA (0.47) | TSHREPHX2GAALMNAHDAC1 | |
| SCHEMBL3821518 | 0.74 | TSHR (0.54) | TSHREPHX2GAAEPHX1HDAC1 | |
| SCHEMBL6058547 | 0.74 | EPHX1 (0.53) | TSHREPHX2KMT2AGAAEPHX1 | |
| SCHEMBL16118626 | 0.74 | GAA (0.44) | TSHREPHX2GAAEPHX1LMNA | |
| SCHEMBL733617 | 0.73 | EPHX2 (0.62) | EPHX2HDAC1HDAC8HDAC6HDAC3 | |
| SCHEMBL12858009 | 0.73 | EPHX2 (0.57) | TSHREPHX2HDAC1HDAC8HDAC6 | |
| SCHEMBL28098360 | 0.72 | GRIN1 (0.41) | TSHREPHX2MEN1KMT2AGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104592035-B | A kind of synthetic method of 1,3-diaminourea-5,7-dimethyladamantane | 中钢集团鞍山热能研究院有限公司 | 2016-08-24 | — | — | CN | claimed |