Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 5/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | CCKBR | P32239 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4765863 | 0.78 | CYP46A1 (0.54) | CYP46A1HTR2ANR1I2NR3C1PGR | |
| SCHEMBL4765852 | 0.78 | CYP46A1 (0.54) | CYP46A1HTR2ANR1I2NR3C1PGR | |
| SCHEMBL7655679 | 0.75 | CYP46A1 (0.64) | CYP46A1HTR2ANR1I2NR3C1PGR | |
| SCHEMBL7655039 | 0.75 | HTR2A (0.55) | CYP46A1HTR2ANR1I2NR3C1PGR | |
| SCHEMBL7660040 | 0.74 | PTGDR2 (0.41) | ELOVL6MEN1KMT2A | |
| SCHEMBL1079633 | 0.69 | PDE7A (0.45) | CYP46A1HTR2ANR1I2NR3C1PGR | |
| SCHEMBL1046527 | 0.69 | PDE7A (0.45) | CYP46A1HTR2ANR1I2NR3C1PGR | |
| SCHEMBL1152148 | 0.65 | HTR2A (0.60) | CYP46A1HTR2ANR1I2NR3C1PGR | |
| SCHEMBL1152149 | 0.65 | HTR2A (0.60) | CYP46A1HTR2ANR1I2NR3C1PGR | |
| SCHEMBL1152153 | 0.65 | CYP46A1 (0.64) | CYP46A1HTR2ANR1I2NR3C1PGR |
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-6489320-B1 | NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR AND BENZOXAPINONE FOR TREATMENT OF HIV INFECTION | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-12-03 | — | — | US | disclosed |
| US-6140320-A | FOR TREATING HIV(HUMAN IMMUNODEFICIENCY VIRUS) INFECTIONS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-10-31 | — | — | US | disclosed |
| EP-1009742-A1 | 5,5-DISUBSTITUTED-1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2000-06-21 | — | — | EP | disclosed |
| WO-1999011635-A1 | 5,5-DISUBSTITUTED-1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-03-11 | — | — | WO | disclosed |