Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 18/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | TACR2 | P21452 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | PTH1R | Q03431 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | CCKBR | P32239 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6986545 | 0.82 | CYP46A1 (0.44) | PGRHTR2AADRA2CTACR2ADRA1D | |
| SCHEMBL1152913 | 0.81 | PGR (0.49) | PGRHTR2ANR1I2NR3C1ADRB1 | |
| SCHEMBL1152420 | 0.81 | PGR (0.49) | PGRHTR2ANR1I2NR3C1ADRB1 | |
| SCHEMBL1152289 | 0.80 | PGR (0.46) | PGRHTR2ANR1I2NR3C1ADRB1 | |
| SCHEMBL7636124 | 0.73 | ADRA2C (0.32) | PGRHTR2AADRA2CTACR2ADRA1D | |
| SCHEMBL1152243 | 0.73 | ADRA2C (0.45) | PGRHTR2AADRA2CTACR2ADRA1D | |
| SCHEMBL1152246 | 0.73 | ADRA2C (0.45) | PGRHTR2AADRA2CTACR2ADRA1D | |
| SCHEMBL7237856 | 0.71 | ADRA2C (0.33) | HTR2AADRA2CTACR2ADRA1DPTH1R | |
| SCHEMBL7004996 | 0.69 | CYP46A1 (0.40) | PGRHTR2ANR1I2NR3C1ADRB1 | |
| SCHEMBL1152462 | 0.65 | CYP46A1 (0.59) | PGRHTR2ANR1I2NR3C1ADRB1 |
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 5 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 | claimed |
| 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 |