Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | TACR2 | P21452 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | PTH1R | Q03431 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PLK4 | O00444 | 2/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7472711 | 1.00 | ADRA2C (0.37) | ADRA2CTACR2ADRA1DHTR2APTH1R | |
| SCHEMBL7645337 | 0.88 | CYP46A1 (0.40) | ADRA2CTACR2ADRA1DHTR2APTH1R | |
| SCHEMBL7645342 | 0.88 | CYP46A1 (0.40) | ADRA2CTACR2ADRA1DHTR2APTH1R | |
| SCHEMBL7472078 | 0.81 | ADRA2C (0.51) | ADRA2CTACR2ADRA1DHTR2APTH1R | |
| SCHEMBL7472072 | 0.81 | ADRA2C (0.51) | ADRA2CTACR2ADRA1DHTR2APTH1R | |
| SCHEMBL7479592 | 0.70 | CYP46A1 (0.43) | HTR2ACYP1A2MAPTCYP2C19KMT2A | |
| SCHEMBL1152406 | 0.69 | HTR2A (0.51) | ADRA2CTACR2ADRA1DHTR2APTH1R | |
| SCHEMBL1152408 | 0.69 | HTR2A (0.51) | ADRA2CTACR2ADRA1DHTR2APTH1R | |
| SCHEMBL1152979 | 0.67 | ADRA2C (0.69) | ADRA2CTACR2ADRA1DHTR2APTH1R | |
| SCHEMBL1152977 | 0.67 | ADRA2C (0.69) | ADRA2CTACR2ADRA1DHTR2APTH1R |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1183242-A2 | 1,4-BENZODIAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2002-03-06 | — | — | EP | claimed |
| WO-2000073284-A2 | 1,4-BENZODIAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-12-07 | — | — | WO | 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 |
| EP-1183242-A2 | 1,4-BENZODIAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2002-03-06 | — | — | EP | disclosed |
| WO-2000073284-A2 | 1,4-BENZODIAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-12-07 | — | — | WO | disclosed |