Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL462082 | 0.91 | CYP3A4 (0.46) | CYP3A4LMNAGAAOPRD1MAPT | |
| SCHEMBL9676287 | 0.83 | CYP3A4 (0.39) | CYP3A4 | |
| SCHEMBL20599288 | 0.82 | CYP3A4 (0.42) | CYP3A4LMNAGAAOPRD1OPRK1 | |
| SCHEMBL27797024 | 0.81 | CYP3A4 (0.38) | CYP3A4LMNAMAPTALDH1A1 | |
| SCHEMBL31469053 | 0.80 | CYP3A4 (0.41) | CYP3A4LMNAGAAADRA1AALDH1A1 | |
| SCHEMBL2871678 | 0.79 | CYP3A4 (0.37) | CYP3A4LMNAGAAALDH1A1 | |
| SCHEMBL9627129 | 0.79 | HDAC3 (0.37) | CYP3A4NPC1RAB9ALMNAGAA | |
| SCHEMBL6692977 | 0.78 | OPRD1 (0.41) | CYP3A4NPC1RAB9ALMNAOPRD1 | |
| SCHEMBL290880 | 0.78 | — | — | |
| SCHEMBL327601 | 0.78 | OPRD1 (0.41) | CYP3A4NPC1RAB9ALMNAOPRD1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0670316-B1 | 1,3,6-Trialkylhexahydro-1,3,6-triazocine-2-one and preparation process thereof | MITSUI TOATSU CHEMICALS (JP) | 1997-09-03 | — | — | EP | claimed |
| JP-7291949-A | — | — | None | — | — | JP | disclosed |
| JP-H07291949-A | 1,3,6-TRIALKYLHEXAHYDRO-1,3,6-TRIAZOCIN-2-ONE AND PRODUCTION THEREOF | MITSUI TOATSU CHEM INC | 1995-11-07 | — | — | JP | disclosed |