Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I3 | Q14994 | 1/20 | 1.00 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.70 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | SHBG | P04278 | 1/20 | 0.67 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.67 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.63 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.63 |
| ▸ | G6PD | P11413 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | GABRP | O00591 | 1/20 | 0.59 |
| ▸ | GABRD | O14764 | 1/20 | 0.59 |
| ▸ | GMNN | O75496 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL1047682 | 1.00 | NR1I3 (1.00) | NR1I3CDK5CDK5R1LMNAGPBAR1 | |
| SCHEMBL15963473 | 1.00 | NR1I3 (1.00) | NR1I3CDK5CDK5R1LMNAGPBAR1 | |
| SCHEMBL3130550 | 1.00 | NR1I3 (1.00) | NR1I3CDK5CDK5R1LMNAGPBAR1 | |
| SCHEMBL2555591 | 1.00 | NR1I3 (1.00) | NR1I3CDK5CDK5R1LMNAGPBAR1 | |
| SCHEMBL13785427 | 1.00 | NR1I3 (1.00) | NR1I3CDK5CDK5R1LMNAGPBAR1 | |
| SCHEMBL11128263 | 1.00 | NR1I3 (1.00) | NR1I3CDK5CDK5R1LMNAGPBAR1 | |
| SCHEMBL21802632 | 1.00 | NR1I3 (1.00) | NR1I3CDK5CDK5R1LMNAGPBAR1 | |
| SCHEMBL20781172 | 1.00 | NR1I3 (1.00) | NR1I3CDK5CDK5R1LMNAGPBAR1 | |
| SCHEMBL20781187 | 1.00 | NR1I3 (1.00) | NR1I3CDK5CDK5R1LMNAGPBAR1 | |
| SCHEMBL11250886 | 1.00 | NR1I3 (1.00) | NR1I3CDK5CDK5R1LMNAGPBAR1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108084239-A | The preparation method of (3 β, 15 α)--14 β of dihydroxy-phenylamino or benzyl amino androstane -17- ketone | 扬州大学 | 2018-05-29 | — | — | CN | claimed |
| CN-105693801-B | The aryl androstane 5 (6), 8 (14) of 3 β hydroxyls 16, the synthetic method of the ketone of 15 (16) triolefin 17 | 泰州职业技术学院 | 2017-05-31 | — | — | CN | claimed |
| EP-2206719-A2 | Novel C-17-Heteroaryl Steroidal CYP17 Inhibitors/Antiandrogens: Synthesis, In Vitro Biological Activities, Pharmacokinetics and Antitumor | University Of Maryland (US) | 2010-07-14 | — | — | EP | claimed |
| CN-108084239-A | The preparation method of (3 β, 15 α)--14 β of dihydroxy-phenylamino or benzyl amino androstane -17- ketone | 扬州大学 | 2018-05-29 | — | — | CN | disclosed |
| EP-3186267-A1 | AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES | Ustav Organicke Chemie a Biochemie AV CR, v.v.i. (CZ) | 2017-07-05 | — | — | EP | disclosed |
| CN-105732755-B | The aryl androstane 5 (6), 8 (14) of 3 β hydroxyls 16, the ketone of 15 (16) triolefin 17 | 泰州职业技术学院 | 2017-05-31 | — | — | CN | disclosed |
| CN-105693801-B | The aryl androstane 5 (6), 8 (14) of 3 β hydroxyls 16, the synthetic method of the ketone of 15 (16) triolefin 17 | 泰州职业技术学院 | 2017-05-31 | — | — | CN | disclosed |
| WO-2016029888-A1 | AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES | USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) | 2016-03-03 | — | — | WO | disclosed |
| WO-2015003003-A1 | SHIP INHIBITION TO COMBAT OBESITY | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2015-01-08 | — | — | WO | disclosed |
| CN-1501795-A | Gaba-receptor modulators for the treatment of neurodegenerative diseases of the eye | ��������²�ʿ��ѧҩ������ɷ����� | 2004-06-02 | — | — | CN | disclosed |