Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 9/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.57 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.57 |
| ▸ | PGR | P06401 | 1/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | CNR1 | P21554 | 1/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | HTR2C | P28335 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.57 |
| ▸ | CCKBR | P32239 | 1/20 | 0.57 |
| ▸ | PPARG | P37231 | 1/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.57 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL7807509 | 1.00 | CYP46A1 (0.58) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL7811550 | 1.00 | CYP46A1 (0.58) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL7906366 | 0.87 | CYP46A1 (0.53) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL7814627 | 0.87 | CYP46A1 (0.53) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL7904926 | 0.87 | CYP46A1 (0.53) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL7903984 | 0.82 | CYP46A1 (0.40) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL7802741 | 0.82 | CYP46A1 (0.40) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL7897555 | 0.82 | CYP46A1 (0.40) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL7811865 | 0.81 | CYP46A1 (0.41) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL7808948 | 0.81 | CYP46A1 (0.41) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1091944-A1 | 1,3-BENZODIAZEPIN-2-ONES AND 1,3-BENZOXAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-04-18 | — | — | EP | claimed |
| US-6204262-B1 | 1,3-Benzodiazepin-2-ones and 1,3-Benzoxazepin-2-ones useful as HIV reverse transcriptase inhibitors | DUPONT PHARMACEUTICALS COMPANY | 2001-03-20 | — | — | US | claimed |
| WO-2000000479-A1 | 1,3-BENZODIAZEPIN-2-ONES AND 1,3-BENZOXAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-01-06 | — | — | WO | claimed |
| EP-1091944-A1 | 1,3-BENZODIAZEPIN-2-ONES AND 1,3-BENZOXAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-04-18 | — | — | EP | disclosed |
| US-6204262-B1 | 1,3-Benzodiazepin-2-ones and 1,3-Benzoxazepin-2-ones useful as HIV reverse transcriptase inhibitors | DUPONT PHARMACEUTICALS COMPANY | 2001-03-20 | — | — | US | disclosed |
| WO-2000000479-A1 | 1,3-BENZODIAZEPIN-2-ONES AND 1,3-BENZOXAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-01-06 | — | — | WO | disclosed |