Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 6/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | ABL2 | P42684 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | AR | P10275 | 4/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9845691 | 1.00 | TP53 (0.45) | TP53TDP1BACE1PDE10AESR1 | |
| SCHEMBL171048 | 0.83 | TP53 (0.48) | TP53TDP1BACE1PDE10AESR1 | |
| SCHEMBL9845684 | 0.80 | KDM1A (0.42) | TP53ESR1ESR2EGFRABL1 | |
| SCHEMBL9845679 | 0.80 | KDM1A (0.42) | TP53ESR1ESR2EGFRABL1 | |
| SCHEMBL3747477 | 0.78 | TP53 (0.46) | TP53TDP1BACE1PDE10AESR1 | |
| SCHEMBL3752323 | 0.78 | TP53 (0.46) | TP53TDP1BACE1PDE10AESR1 | |
| SCHEMBL9251415 | 0.77 | PTGS1 (0.56) | TP53TDP1ESR1ESR2ALOX5 | |
| SCHEMBL9251408 | 0.77 | PTGS1 (0.56) | TP53TDP1ESR1ESR2ALOX5 | |
| SCHEMBL1824384 | 0.76 | LCK (0.61) | TP53TDP1BACE1PDE10AESR1 | |
| SCHEMBL1824386 | 0.76 | LCK (0.61) | TP53TDP1BACE1PDE10AESR1 |
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-0410379-A2 | Pharmaceutically active 3-aryl and 3-heteroaryl-2-fluoro-1-olefins | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-30 | — | — | EP | disclosed |