Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 10/20 | 0.76 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.76 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.76 |
| ▸ | PGR | P06401 | 1/20 | 0.76 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.76 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.76 |
| ▸ | MAPT | P10636 | 1/20 | 0.76 |
| ▸ | CNR1 | P21554 | 1/20 | 0.76 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.76 |
| ▸ | HTR2A | P28223 | 1/20 | 0.76 |
| ▸ | HTR2C | P28335 | 1/20 | 0.76 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.76 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.76 |
| ▸ | CCKBR | P32239 | 1/20 | 0.76 |
| ▸ | PPARG | P37231 | 1/20 | 0.76 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.76 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.76 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.76 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.76 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL1702633 | 0.87 | CYP46A1 (0.77) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL1702634 | 0.87 | CYP46A1 (0.77) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL2625353 | 0.87 | CYP46A1 (0.77) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL19236427 | 0.86 | CYP46A1 (0.76) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL12470339 | 0.86 | CYP46A1 (0.76) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL464769 | 0.86 | CYP46A1 (1.00) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL3817561 | 0.86 | CYP46A1 (0.76) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL3227745 | 0.86 | CYP46A1 (1.00) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL12470341 | 0.86 | CYP46A1 (0.76) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL13098636 | 0.86 | CYP46A1 (1.00) | CYP46A1NR1I2NR3C1PGRADRB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1332757-B1 | Efavirenz compressed tablet formulation | MERCK SHARP & DOHME (US) | 2012-06-13 | — | — | EP | disclosed |