Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | HTR5A | P47898 | 2/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9230841 | 0.84 | BACE1 (0.48) | BACE1HTR1AHTR2AHTR2CHTR6 | |
| Hydrochloric Acid SCHEMBL9230054 | 0.83 | BACE1 (0.47) | BACE1HTR1AHTR2AHTR2CHTR6 | |
| SCHEMBL9227350 | 0.82 | DRD2 (0.50) | BACE1HTR1ADRD2DRD4DRD3 | |
| SCHEMBL929137 | 0.81 | KDM4E (0.54) | BACE1HTR6HTR5ACYP1A2HSD17B10 | |
| SCHEMBL9274710 | 0.80 | HTR1A (0.47) | BACE1HTR1AHTR2ADRD2DRD4 | |
| SCHEMBL9229904 | 0.78 | ADRB1 (0.51) | BACE1HTR1AHTR2AHTR6HTR5A | |
| Hydrochloric Acid SCHEMBL9229290 | 0.77 | ADRB1 (0.50) | BACE1HTR1AHTR2AHTR6HTR5A | |
| SCHEMBL9228925 | 0.76 | HTR5A (0.52) | BACE1HTR1AHTR2AHTR2CHTR6 | |
| Hydrochloric Acid SCHEMBL9225164 | 0.75 | HTR5A (0.51) | BACE1HTR1AHTR2AHTR2CHTR6 | |
| SCHEMBL9229724 | 0.75 | HTR6 (0.48) | BACE1HTR1AHTR2ADRD2HTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1105360-A | 1-[2H-1-benzopyran-2-one-8yl]-piperazin derivative | DUPHAR INT RES (NL) | 1995-07-19 | — | — | CN | disclosed |
| EP-0650964-A1 | 1 2H-1-benzopyran-2-one-8-yl -piperazine derivatives | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1995-05-03 | — | — | EP | disclosed |