Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 12/20 | 0.57 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.46 |
| ▸ | TYR | P14679 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.39 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.39 |
| ▸ | MLNR | O43193 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7096184 | 1.00 | CYP3A4 (0.57) | CYP3A4CTRB1TYRTACR1MEN1 | |
| SCHEMBL7094521 | 0.84 | CYP3A4 (0.51) | CYP3A4CTRB1TYRTACR1MEN1 | |
| SCHEMBL7302504 | 0.84 | CTRB1 (0.52) | CYP3A4CTRB1TACR1 | |
| SCHEMBL8138746 | 0.84 | CTRB1 (0.52) | CYP3A4CTRB1TACR1 | |
| SCHEMBL7309108 | 0.83 | CYP3A4 (0.63) | CYP3A4CTRB1 | |
| SCHEMBL4683833 | 0.83 | CYP3A4 (0.63) | CYP3A4CTRB1 | |
| SCHEMBL8853637 | 0.83 | CYP3A4 (0.63) | CYP3A4CTRB1 | |
| SCHEMBL4677833 | 0.83 | CYP3A4 (0.61) | CYP3A4TACR1MEN1SLC22A2SLC22A1 | |
| SCHEMBL9064880 | 0.83 | CYP3A4 (0.61) | CYP3A4TACR1MEN1SLC22A2SLC22A1 | |
| SCHEMBL9065625 | 0.83 | CYP3A4 (0.61) | CYP3A4TACR1MEN1SLC22A2SLC22A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5635523-A | ADMINISTERING MIXTURE OF 5-(N-(N-((N-METHYL-N-((2-ISOPROPYL-4-THIAZOLYL)METHYL) -AMINO)CARBONYL)VALINYL)AMINO)-2-(N-((5-THIAZOLYL)METHOXYCARBONYL)AMINO)-1,6-DIPHENYL-3-HYDROXYHEXANE OR SALT AND REVERSE TRASCRIPTASE INHIBITOR | ABBOTT LABORATORIES (US) | 1997-06-03 | — | — | US | disclosed |