Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | KDR | P35968 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.54 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.54 |
| ▸ | SERPINE1 | P05121 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL25977044 | 0.91 | ESR1 (0.69) | ESR1ALDH1A1CHRM1TSHRSLC6A2 | |
| SCHEMBL14366140 | 0.89 | ESR1 (1.00) | ESR1TSHRLMNAAKR1C4AKR1C3 | |
| SCHEMBL869061 | 0.86 | ESR1 (0.71) | ESR1TDP1CA12CA1CA2 | |
| SCHEMBL13038504 | 0.86 | ESR1 (1.00) | ESR1ALDH1A1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL12758274 | 0.86 | ESR1 (1.00) | ESR1ALDH1A1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL12756270 | 0.84 | LMNA (0.67) | ESR1ALDH1A1CHRM1TSHRSLC6A2 | |
| Propyl Gallate SCHEMBL788397 | 0.83 | ESR1 (0.80) | ESR1ALDH1A1CHRM1TSHRSLC6A2 | |
| Propyl Gallate SCHEMBL22630 | 0.83 | ESR1 (0.80) | ESR1ALDH1A1CHRM1TSHRSLC6A2 | |
| SCHEMBL17854062 | 0.82 | ESR1 (0.66) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL39034 | 0.82 | CA12 (0.74) | ESR1ALDH1A1CHRM1TSHRSLC6A2 |
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-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |