Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | ELANE | P08246 | 2/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | PLG | P00747 | 1/20 | 0.44 |
| ▸ | CTSG | P08311 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | CTRC | Q99895 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | GSK3A | P49840 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8672368 | 0.89 | SIGMAR1 (0.41) | SIGMAR1ELANEF2PLGCTSG | |
| SCHEMBL24938710 | 0.78 | MGLL (0.45) | SIGMAR1ELANEF2PLGCTSG | |
| SCHEMBL27675286 | 0.78 | S1PR5 (0.47) | LMNASMN1; SMN2KDM4EMEN1ALDH1A1 | |
| SCHEMBL30445901 | 0.78 | CYP19A1 (0.38) | SIGMAR1ELANEF2PLGCTSG | |
| SCHEMBL6705444 | 0.76 | SIGMAR1 (0.48) | SIGMAR1ELANEF2PLGCTSG | |
| Hydrochloric Acid SCHEMBL28835985 | 0.76 | MGLL (0.43) | SIGMAR1ELANEF2PLGCTSG | |
| SCHEMBL21104726 | 0.76 | SIGMAR1 (0.43) | SIGMAR1ELANEF2PLGCTSG | |
| SCHEMBL6615669 | 0.76 | GSK3A (0.36) | SIGMAR1ELANEF2PLGCTSG | |
| Hydrochloric Acid SCHEMBL30234811 | 0.75 | MGLL (0.42) | SIGMAR1ELANEF2PLGCTSG | |
| SCHEMBL27706105 | 0.75 | SIGMAR1 (0.41) | SIGMAR1ELANEF2PLGCTSG |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107879967-A | The preparation method of the ketone of 1 azaspiro [4.4] nonane 6 | 上海交通大学 | 2018-04-06 | — | — | CN | claimed |
| CN-104470547-B | Utilize the method for tubular article synthesis of radiopharmaceuticals | 未来化学株式会社 | 2018-01-26 | — | — | CN | claimed |
| CN-106459011-B | Sigma-2 receptor ligand drug conjugates as antitumor compounds, methods of synthesis thereof and uses thereof | 华盛顿大学 | 2019-11-15 | — | — | CN | disclosed |
| CN-109796482-A | The preparation method of di-oxalate lithium borate and LiBF4 | 江苏长园华盛新能源材料有限公司 | 2019-05-24 | — | — | CN | disclosed |
| CN-105085515-B | Hydrazide kind compound as coagulation factor xa inhibitors | 华北制药股份有限公司 | 2019-02-01 | — | — | CN | disclosed |
| CN-107879967-A | The preparation method of the ketone of 1 azaspiro [4.4] nonane 6 | 上海交通大学 | 2018-04-06 | — | — | CN | disclosed |
| CN-106459011-A | Sigma-2 receptor ligand drug conjugates as antitumor compounds, methods of synthesis thereof and uses thereof | 华盛顿大学 | 2017-02-22 | — | — | CN | disclosed |
| CN-103562181-A | Method for producing hemiaminal compound and method for producing cyanoamine compound | SUMITOMO CHEMICAL CO | 2014-02-05 | — | — | CN | disclosed |
| CN-102356082-A | 3,3' -spiroindolinone derivatives as anticancer agents | HOFFMANN LA ROCHE | 2012-02-15 | — | — | CN | disclosed |
| CN-101715452-A | Azaindole-indole coupled derivatives, preparation methods and uses thereof | JINGCAI CHENG | 2010-05-26 | — | — | CN | disclosed |
| CN-101208085-A | Modified release formulations of 1- [ (3-hydroxy-adamantyl-1-ylamino) -acetyl ] -pyrrolidinyl-2(s) -carbonitrile | NOVARTIS AG (CH) | 2008-06-25 | — | — | CN | disclosed |
| EP-0687249-A1 | BALANOIDS | ELI LILLY AND COMPANY (US) | 1995-12-20 | — | — | EP | disclosed |
| WO-1994020062-A2 | BALANOIDS AS PROTEIN KINASE C INHIBITORS | ELI LILLY AND COMPANY (US) | 1994-09-15 | — | — | WO | disclosed |
| CN-86106702-A | The preparation method of azepine-3-cyclobutane-carboxylic acid and salt thereof | — | 1987-04-01 | — | — | CN | disclosed |