Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADCY1 | Q08828 | 14/20 | 0.76 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.72 |
| ▸ | SLC2A1 | P11166 | 4/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.72 |
| ▸ | TSHR | P16473 | 2/20 | 0.72 |
| ▸ | GMNN | O75496 | 1/20 | 0.72 |
| ▸ | BLM | P54132 | 1/20 | 0.72 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.72 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.72 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.72 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.72 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.72 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.72 |
| ▸ | HTR1A | P08908 | 1/20 | 0.72 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.72 |
| ▸ | HTR2A | P28223 | 1/20 | 0.72 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.72 |
| ▸ | SCN1A | P35498 | 1/20 | 0.72 |
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 SCHEMBL10764536 | 0.99 | ADCY1 (0.75) | ADCY1MAPK1SLC2A1CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL10762178 | 0.98 | ADCY1 (0.74) | ADCY1MAPK1SLC2A1CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL9631795 | 0.94 | ADCY1 (0.70) | ADCY1MAPK1SLC2A1CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL9630412 | 0.94 | ADCY1 (0.70) | ADCY1MAPK1SLC2A1CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL10760530 | 0.93 | ADCY1 (0.71) | ADCY1MAPK1SLC2A1CYP3A4TSHR | |
| SCHEMBL10760708 | 0.93 | ADCY1 (0.71) | ADCY1MAPK1SLC2A1CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL10762345 | 0.92 | ADCY1 (0.70) | ADCY1MAPK1SLC2A1CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL10764658 | 0.92 | ADCY1 (0.70) | ADCY1MAPK1SLC2A1CYP3A4TSHR | |
| SCHEMBL9583128 | 0.91 | ADCY1 (0.76) | ADCY1MAPK1SLC2A1CYP3A4TSHR | |
| SCHEMBL2231230 | 0.90 | ADCY1 (0.77) | ADCY1MAPK1SLC2A1CYP3A4TSHR |
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-0217372-A2 | Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-04-08 | — | — | EP | disclosed |