Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL28098358 | 0.84 | TSHR (0.49) | TSHREPHX2MEN1KMT2ALMNA | |
| SCHEMBL28098360 | 0.82 | GRIN1 (0.41) | TSHREPHX2MEN1KMT2AGRIN1 | |
| Acetamide SCHEMBL2553577 | 0.81 | TSHR (0.50) | TSHREPHX2MEN1KMT2AGRIN1 | |
| Methyl Alcohol SCHEMBL28225130 | 0.78 | TSHR (0.48) | TSHREPHX2MEN1KMT2AGRIN1 | |
| Acetamide SCHEMBL28027672 | 0.78 | TSHR (0.47) | TSHREPHX2MEN1KMT2AGRIN1 | |
| SCHEMBL3190483 | 0.78 | GRIN1 (0.48) | TSHREPHX2MEN1KMT2AGRIN1 | |
| SCHEMBL733849 | 0.78 | GRIN1 (0.48) | TSHREPHX2MEN1KMT2AGRIN1 | |
| SCHEMBL3821518 | 0.76 | TSHR (0.54) | TSHREPHX2GRIN1GRIN2AGRIN2D | |
| Dimethylamine SCHEMBL4774387 | 0.75 | GRIN1 (0.50) | TSHREPHX2MEN1KMT2AGRIN1 | |
| Hydrochloric Acid SCHEMBL28669825 | 0.75 | GRIN1 (0.50) | TSHREPHX2MEN1KMT2AGRIN1 |
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-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 |
| 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 | disclosed |
| 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 | disclosed |