Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 10/20 | 0.58 |
| ▸ | HTR2A | P28223 | 5/20 | 0.52 |
| ▸ | HRH1 | P35367 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | HTR1D | P28221 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 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 | |
|---|---|---|---|---|
| SCHEMBL8835942 | 0.83 | TAAR1 (0.47) | TAAR1HTR2AHRH1CYP2A6SMN1; SMN2 | |
| SCHEMBL224549 | 0.83 | TAAR1 (0.70) | TAAR1HTR2AHRH1CYP2A6SMN1; SMN2 | |
| SCHEMBL22810499 | 0.78 | — | — | |
| SCHEMBL940845 | 0.77 | TAAR1 (0.38) | TAAR1ADRA2C | |
| SCHEMBL6314758 | 0.76 | HTR2A (0.74) | TAAR1HTR2AHRH1CYP2A6SMN1; SMN2 | |
| SCHEMBL3051426 | 0.76 | TAAR1 (0.61) | TAAR1HTR2AHRH1CYP2A6SMN1; SMN2 | |
| Hydrogen Sulfide SCHEMBL28853138 | 0.76 | PNMT (0.50) | TAAR1HTR2ACYP2A6LOXL2 | |
| Bromide SCHEMBL8416875 | 0.75 | TDP1 (0.42) | TAAR1HTR2A | |
| SCHEMBL374480 | 0.75 | HTR1A (0.48) | TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2 | |
| Hydrochloric Acid SCHEMBL29193728 | 0.75 | TAAR1 (0.37) | TAAR1CYP2A6CYP2D6ADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015080665-A1 | CHALCONE-UREA DERIVATIVES AS INSULIN SENSORS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2015-06-04 | — | — | WO | disclosed |