Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 13/20 | 0.69 |
| ▸ | ESR1 | P03372 | 12/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4746340 | 1.00 | ESR2 (0.69) | ESR2ESR1KDM4ELMNAHTT | |
| SCHEMBL6374648 | 0.89 | ESR2 (0.68) | ESR2ESR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6374651 | 0.89 | ESR2 (0.68) | ESR2ESR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10661866 | 0.83 | ESR1 (0.53) | ESR2ESR1KDM4ELMNAHTT | |
| SCHEMBL10661875 | 0.83 | ESR1 (0.53) | ESR2ESR1KDM4ELMNAHTT | |
| SCHEMBL17988306 | 0.82 | CYP1A2 (0.66) | ESR2ESR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28348198 | 0.82 | CYP1A2 (0.66) | ESR2ESR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10660738 | 0.77 | ESR1 (0.43) | ESR2ESR1KDM4ELMNAHTT | |
| SCHEMBL11526606 | 0.77 | KMT2A (0.56) | ESR2ESR1KDM4ELMNAHTT | |
| SCHEMBL30204017 | 0.75 | MEN1 (0.68) | ESR2ESR1KDM4ELMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008107321-A1 | HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS | CEREP (FR) | 2008-09-12 | — | — | WO | disclosed |