Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.35 |
| ▸ | HNF4A | P41235 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.32 |
| ▸ | MYC | P01106 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27640751 | 0.82 | ESR1 (0.39) | BCAT2MMP9ESR1HNF4ASCN1A | |
| SCHEMBL3467813 | 0.81 | ESR1 (0.44) | MMP9ESR1HNF4ARAB9AMYC | |
| SCHEMBL3468563 | 0.76 | MMP3 (0.47) | ESR1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL3468554 | 0.76 | ESR1 (0.54) | ESR1PARP1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL3468373 | 0.76 | SLC6A3 (0.49) | ESR1SCN1ASCN2ASCN3AALDH1A1 | |
| SCHEMBL3468462 | 0.75 | ESR1 (0.43) | ESR1PLAUPLATPARP1MEN1 | |
| SCHEMBL3075044 | 0.74 | ESR1 (0.50) | ESR1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3468030 | 0.73 | ESR1 (0.40) | MMP9ESR1PDCD1CD274NPC1 | |
| Gsk-232802 SCHEMBL3467757 | 0.71 | ESR1 (0.55) | ESR1HNF4AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3468706 | 0.71 | KMO (0.47) | ESR1RAB9AMEN1KMT2ALMNA |
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-2005012220-A9 | CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR | SMITHKLINE BEECHAM CORP (US) | 2005-05-19 | — | — | WO | disclosed |