Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 8/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.62 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.62 |
| ▸ | PGR | P06401 | 1/20 | 0.62 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | CNR1 | P21554 | 1/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.62 |
| ▸ | HTR2A | P28223 | 1/20 | 0.62 |
| ▸ | HTR2C | P28335 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.62 |
| ▸ | CCKBR | P32239 | 1/20 | 0.62 |
| ▸ | PPARG | P37231 | 1/20 | 0.62 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.62 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.62 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL1151823 | 0.83 | CYP46A1 (0.65) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL1153106 | 0.83 | CYP46A1 (0.46) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL8083795 | 0.80 | CYP46A1 (0.61) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL14002297 | 0.78 | CYP46A1 (0.67) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL8075473 | 0.78 | CYP46A1 (0.67) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL14439949 | 0.77 | CYP46A1 (0.76) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL16160982 | 0.77 | CYP46A1 (0.60) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL3227745 | 0.76 | CYP46A1 (1.00) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL464769 | 0.76 | CYP46A1 (1.00) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| Efavirenz SCHEMBL1560709 | 0.76 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6303780-B1 | 4,4-disubstituted-1,4-dihydro-2h-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same | DUPONT PHARMACEUTICALS COMPANY | 2001-10-16 | — | — | US | disclosed |
| EP-0929533-A1 | 4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME | Du Pont Pharmaceuticals Company (US) | 1999-07-21 | — | — | EP | disclosed |
| US-5874430-A | COMPOUNDS AS PROTEASE, REVERSE TRANSCRIPTASE INHIBITORS FOR DIAGNOSIS | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-02-23 | — | — | US | disclosed |
| WO-1998014436-A1 | 4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME | DUPONT PHARMACEUTICALS COMPANY (US) | 1998-04-09 | — | — | WO | disclosed |