Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 4/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3276604 | 0.99 | ADRB1 (0.48) | ADRB1HTR2CHTR2AHTR2BALDH1A1 | |
| SCHEMBL3282996 | 0.90 | ADRB1 (0.50) | ADRB1HTR2CHTR2AHTR2BALDH1A1 | |
| Hydrochloric Acid SCHEMBL3276614 | 0.88 | ADRB1 (0.49) | ADRB1HTR2CHTR2AHTR2BALDH1A1 | |
| Hydrochloric Acid SCHEMBL3281370 | 0.87 | ADRB1 (0.48) | ADRB1HTR2CHTR2AHTR2BALDH1A1 | |
| SCHEMBL3277155 | 0.79 | ADRB1 (0.40) | ADRB1HTR2CHTR2AHTR2BALDH1A1 | |
| SCHEMBL1011153 | 0.78 | CD44 (0.49) | HTR2CHTR2AHTR2BALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL3280756 | 0.75 | ADRB1 (0.48) | ADRB1HTR2CHTR2AALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL3276931 | 0.75 | SSTR4 (0.37) | ADRB1HTR2CHTR2AHTR2BHTR6 | |
| SCHEMBL1012967 | 0.75 | PNMT (0.49) | HTR2CALDH1A1HTR6MEN1NPC1 | |
| SCHEMBL31150742 | 0.75 | PNMT (0.49) | HTR2CALDH1A1HTR6MEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2123644-A1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-11-25 | — | — | EP | disclosed |