Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADCY1 | Q08828 | 12/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.74 |
| ▸ | TSHR | P16473 | 3/20 | 0.74 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.74 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.74 |
| ▸ | MLNR | O43193 | 1/20 | 0.74 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.74 |
| ▸ | MEN1 | O00255 | 1/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.74 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.71 |
| ▸ | GMNN | O75496 | 1/20 | 0.71 |
| ▸ | BLM | P54132 | 1/20 | 0.71 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.71 |
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 SCHEMBL9629811 | 0.91 | MAPK1 (0.73) | ADCY1MAPK1CYP3A4TSHRNR1I2 | |
| SCHEMBL9629789 | 0.90 | ADCY1 (0.73) | ADCY1MAPK1CYP3A4TSHRNR1I2 | |
| Hydrochloric Acid SCHEMBL9630922 | 0.90 | MAPK1 (0.78) | ADCY1MAPK1CYP3A4TSHRNR1I2 | |
| Hydrochloric Acid SCHEMBL9631195 | 0.89 | MAPK1 (0.72) | ADCY1MAPK1CYP3A4TSHRNR1I2 | |
| Hydrochloric Acid SCHEMBL10588447 | 0.89 | MAPK1 (0.71) | ADCY1MAPK1CYP3A4TSHRNR1I2 | |
| SCHEMBL9629548 | 0.88 | ADCY1 (0.80) | ADCY1MAPK1CYP3A4TSHRNR1I2 | |
| SCHEMBL11542815 | 0.88 | ADCY1 (0.87) | ADCY1MAPK1CYP3A4TSHRNR1I2 | |
| SCHEMBL30763213 | 0.88 | ADCY1 (0.87) | ADCY1MAPK1CYP3A4TSHRNR1I2 | |
| Hydrochloric Acid SCHEMBL9630768 | 0.88 | MAPK1 (0.70) | ADCY1MAPK1CYP3A4TSHRNR1I2 | |
| Hydrochloric Acid SCHEMBL9630442 | 0.87 | ADCY1 (0.72) | ADCY1MAPK1CYP3A4TSHRNR1I2 |
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-5093331-A | Inotropic, hypotensive, glaucoma | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-03-03 | — | — | US | disclosed |
| EP-0318855-A2 | Labdane derivatives, process for their preparation and their use as medicines | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-06-07 | — | — | EP | disclosed |