Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.68 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.48 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.48 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.48 |
| ▸ | PPARD | Q03181 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.47 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.47 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 5/20 | 0.44 |
| ▸ | PPARA | Q07869 | 5/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TLR2 | O60603 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Dodecane SCHEMBL28109673 | 1.00 | SLC7A5 (0.68) | SLC7A5GRIK1GRIK2ACE2GPR84 | |
| Valine SCHEMBL4045692 | 0.98 | SLC7A5 (0.71) | SLC7A5GRIK1GRIK2ACE2GPR84 | |
| Octanol SCHEMBL2214937 | 0.92 | SLC7A5 (0.58) | SLC7A5GRIK1GRIK2ACE2GPR84 | |
| Dodecanoate SCHEMBL28278844 | 0.90 | GPR84 (0.63) | SLC7A5GPR84FFAR1PPARDMAPT | |
| Stearic Acid SCHEMBL11777042 | 0.90 | GPR84 (0.63) | SLC7A5GPR84FFAR1PPARDMAPT | |
| Valine SCHEMBL28555130 | 0.90 | SLC7A5 (0.60) | SLC7A5GRIK1GRIK2ACE2SLC1A2 | |
| Stearic Acid SCHEMBL11541589 | 0.89 | GPR84 (0.61) | SLC7A5GPR84FFAR1PPARDMAPT | |
| Valine SCHEMBL8726713 | 0.89 | SLC7A5 (0.54) | SLC7A5GRIK1GRIK2ACE2MAPT | |
| Valine SCHEMBL11876966 | 0.88 | SLC7A5 (0.79) | SLC7A5GRIK1GRIK2SLC1A2SLC1A1 | |
| Valine SCHEMBL786889 | 0.88 | SLC7A5 (0.58) | SLC7A5GPR84FFAR1PPARDMAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102167702-A | 3-trifluoromethyl-2,5-diazabicyclo[2.2.1] heptane derivant and preparation method thereof | SHANGHAI PHARMATECH CO LTD | 2011-08-31 | — | — | CN | claimed |
| CN-106573047-A | Adjuvants | 莱特弗克斯有限公司 | 2017-04-19 | — | — | CN | disclosed |
| EP-2885295-A1 | SOLID FORMS OF AN ANTIVIRAL COMPOUND | Gilead Sciences, Inc. (US) | 2015-06-24 | — | — | EP | disclosed |
| WO-2014028343-A1 | SOLID FORMS OF AN ANTIVIRAL COMPOUND | GILEAD SCIENCES, INC. (US) | 2014-02-20 | — | — | WO | disclosed |
| CN-102167702-A | 3-trifluoromethyl-2,5-diazabicyclo[2.2.1] heptane derivant and preparation method thereof | SHANGHAI PHARMATECH CO LTD | 2011-08-31 | — | — | CN | disclosed |
| US-4550094-A | POLYMERIZATION COORDINATION CATALYST CONTAINING SILICON COMPOUND WITH A TRANSITION METAL, ORGANOMAGNESIUM AND HALOGEN COMPOUNDS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-10-29 | — | — | US | disclosed |