Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | CASP7 | P55210 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7999291 | 1.00 | HTR1A (0.53) | HTR1ACYP3A4DRD1ADRA1ADRD2 | |
| Hydrochloric Acid SCHEMBL8871565 | 0.98 | CYP3A4 (0.51) | HTR1ACYP3A4DRD1ADRA1ADRD2 | |
| SCHEMBL14883442 | 0.79 | HTR1A (0.49) | HTR1ACYP3A4DRD1DRD2 | |
| SCHEMBL29866247 | 0.77 | CYP3A4 (0.40) | HTR1ACYP3A4DRD1ADRA1ADRD2 | |
| SCHEMBL29877224 | 0.73 | CHRNA7 (0.41) | HTR1ACYP3A4KDM4EALDH1A1GLA | |
| SCHEMBL6981317 | 0.69 | HTR1A (0.50) | HTR1ACYP3A4DRD1ADRA1ADRD2 | |
| SCHEMBL7485380 | 0.69 | HTR1A (0.50) | HTR1ACYP3A4DRD1ADRA1ADRD2 | |
| SCHEMBL3144482 | 0.69 | HTR1A (0.50) | HTR1ACYP3A4DRD1ADRA1ADRD2 | |
| Escholtzine SCHEMBL29692675 | 0.69 | HTR1A (1.00) | HTR1ACYP3A4DRD1ADRA1ADRD2 | |
| SCHEMBL9311203 | 0.69 | HTR1A (0.50) | HTR1ACYP3A4DRD1ADRA1ADRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5648359-A | ESCHSCHOLTZINE AND DERIVATIVES | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1997-07-15 | — | — | US | disclosed |
| EP-0663210-A2 | Tumor necrosis factor production inhibitors | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1995-07-19 | — | — | EP | disclosed |