Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 8/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 5/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | HMGCR | P04035 | 2/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8767390 | 0.89 | ESR1 (0.40) | ESR1ESR2GRM1GRM4ERBB2 | |
| SCHEMBL8766044 | 0.80 | HMGCR (0.43) | HMGCRNR1I2KDM4EALDH1A1CA1 | |
| SCHEMBL8766182 | 0.76 | CA12 (0.39) | ESR1ESR2GRM1GRM4ERBB2 | |
| SCHEMBL8766983 | 0.73 | HMGCR (0.45) | ESR1HMGCRNR1I2ALDH1A1CA1 | |
| SCHEMBL8766713 | 0.72 | HMGCR (0.44) | HMGCRNR1I2KDM4EALDH1A1CA2 | |
| SCHEMBL8766643 | 0.71 | HMGCR (0.48) | HMGCRNR1I2ALDH1A1CYP1A2LMNA | |
| SCHEMBL8766583 | 0.71 | HMGCR (0.43) | HMGCRNR1I2KDM4EALDH1A1CA1 | |
| SCHEMBL8766672 | 0.71 | HMGCR (0.43) | HMGCRNR1I2ALDH1A1CA1CA2 | |
| SCHEMBL8609257 | 0.70 | HMGCR (0.43) | HMGCRNR1I2KDM4EALDH1A1CA1 | |
| SCHEMBL8767341 | 0.69 | HMGCR (0.43) | HMGCRNR1I2KDM4EALDH1A1CYP1A2 |
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-0559079-B1 | Substituted aminophosphonate derivatives, process for their preparation and pharmaceutical compositions containing them | SYMPHAR SA (CH) | 1997-08-13 | — | — | EP | claimed |