Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 6/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | CCKBR | P32239 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7645342 | 1.00 | CYP46A1 (0.40) | CYP46A1HTR2AMAPTNR1I2NR3C1 | |
| SCHEMBL7472702 | 0.88 | ADRA2C (0.37) | HTR2AMAPTADRA2CTACR2ADRA1D | |
| SCHEMBL7472711 | 0.88 | ADRA2C (0.37) | HTR2AMAPTADRA2CTACR2ADRA1D | |
| SCHEMBL7472072 | 0.82 | ADRA2C (0.51) | HTR2AADRA2CTACR2ADRA1DPTH1R | |
| SCHEMBL7472078 | 0.82 | ADRA2C (0.51) | HTR2AADRA2CTACR2ADRA1DPTH1R | |
| SCHEMBL7809019 | 0.74 | CYP46A1 (0.41) | CYP46A1HTR2AMAPTNR1I2NR3C1 | |
| SCHEMBL7802447 | 0.74 | CYP46A1 (0.41) | CYP46A1HTR2AMAPTNR1I2NR3C1 | |
| SCHEMBL7810960 | 0.74 | CYP46A1 (0.41) | CYP46A1HTR2AMAPTNR1I2NR3C1 | |
| SCHEMBL7810961 | 0.74 | CYP46A1 (0.41) | CYP46A1HTR2AMAPTNR1I2NR3C1 | |
| SCHEMBL7802448 | 0.74 | CYP46A1 (0.41) | CYP46A1HTR2AMAPTNR1I2NR3C1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6462037-B1 | SUCH AS 7-CHLORO-3-METHYL-5-(2-CYCLOPROPYLETHYNYL)-1,5-DIHYDRO-5-(TRIFLUOROMETHYL) -1,4-BENZODIAZEPIN-2-ONE; PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-10-08 | — | — | US | claimed |
| US-6462037-B1 | SUCH AS 7-CHLORO-3-METHYL-5-(2-CYCLOPROPYLETHYNYL)-1,5-DIHYDRO-5-(TRIFLUOROMETHYL) -1,4-BENZODIAZEPIN-2-ONE; PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-10-08 | — | — | US | disclosed |