Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 13/20 | 0.39 |
| ▸ | ESR1 | P03372 | 6/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12558167 | 0.85 | ESR2 (0.37) | ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL6043554 | 0.76 | ESR2 (0.36) | ESR2ESR1TDP1CA12CA1 | |
| SCHEMBL6043559 | 0.76 | ESR2 (0.36) | ESR2ESR1TDP1CA12CA1 | |
| SCHEMBL8337652 | 0.74 | SLC18A3 (0.42) | ESR2ESR1KDM1AMEN1KMT2A | |
| SCHEMBL6954522 | 0.72 | ESR2 (0.35) | ESR2ESR1TDP1CA12CA1 | |
| SCHEMBL6041814 | 0.71 | ESR2 (0.42) | ESR2ESR1KDM1A | |
| SCHEMBL6041817 | 0.71 | ESR2 (0.42) | ESR2ESR1KDM1A | |
| SCHEMBL6042485 | 0.71 | FUCA1 (0.63) | ESR2ESR1ALDH1A1 | |
| SCHEMBL6042482 | 0.71 | FUCA1 (0.63) | ESR2ESR1ALDH1A1 | |
| SCHEMBL7447584 | 0.71 | FUCA1 (0.63) | ESR2ESR1ALDH1A1 |
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-1175400-B1 | RENIN INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-06-15 | — | — | EP | disclosed |