Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 9/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 8/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.50 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3482675 | 0.94 | LMNA (0.57) | LMNAADRB3ADRB1ADRB2SLC2A1 | |
| SCHEMBL3482807 | 0.94 | LMNA (0.57) | LMNAADRB3ADRB1ADRB2SLC2A1 | |
| SCHEMBL867222 | 0.94 | LMNA (0.57) | LMNAADRB3ADRB1ADRB2SLC2A1 | |
| SCHEMBL3702012 | 0.82 | ADRB1 (0.67) | LMNAADRB3ADRB1ADRB2SLC2A1 | |
| SCHEMBL16679636 | 0.82 | ADRB1 (0.67) | LMNAADRB3ADRB1ADRB2SLC2A1 | |
| SCHEMBL11595350 | 0.80 | LMNA (0.70) | LMNAADRB3ADRB1ADRB2HIF1A | |
| SCHEMBL13849942 | 0.80 | ADRB1 (0.48) | LMNAADRB3ADRB1ADRB2SLC2A1 | |
| SCHEMBL13849930 | 0.80 | ADRB1 (0.48) | LMNAADRB3ADRB1ADRB2SLC2A1 | |
| SCHEMBL14402491 | 0.80 | ADRB1 (0.48) | LMNAADRB3ADRB1ADRB2SLC2A1 | |
| SCHEMBL6690481 | 0.80 | ADRB1 (0.48) | LMNAADRB3ADRB1ADRB2SLC2A1 |
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-103664816-B | The one kettle way asymmetric synthesis technique of hiv reverse transcriptase inhibitor Sustiva compounds | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2016-03-02 | — | — | CN | disclosed |
| CN-102584801-B | One-pot asymmetric synthesis process of HIV reverse transcriptase inhibitor efavirenz compounds | SHANGHAI INST ORGANIC CHEM | 2015-02-18 | — | — | CN | disclosed |
| CN-103664816-A | One-pot asymmetric synthetic process of HIV (Human Immunodeficiency Virus) reverse transcriptase inhibitor efavirenz compound | SHANGHAI INST ORGANIC CHEM | 2014-03-26 | — | — | CN | disclosed |