Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | CTSC | P53634 | 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 | |
|---|---|---|---|---|
| SCHEMBL7034701 | 0.97 | ESR2 (0.37) | ESR2CA2CYP2C9MAPTALDH1A1 | |
| SCHEMBL7024829 | 0.94 | ESR2 (0.39) | ESR2CYP2C9MAPTALDH1A1LMNA | |
| SCHEMBL7033192 | 0.91 | ESR2 (0.38) | ESR2CYP2C9MAPTALDH1A1LMNA | |
| SCHEMBL7028218 | 0.89 | CA2 (0.39) | ESR2CA2CYP2C9SPHK1PANK3 | |
| SCHEMBL10043312 | 0.88 | SPHK1 (0.39) | ESR2CYP2C9MAPTALDH1A1LMNA | |
| SCHEMBL10043111 | 0.88 | SPHK1 (0.41) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL10043311 | 0.88 | SPHK1 (0.41) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL7033650 | 0.87 | CA2 (0.33) | CA2SPHK1CTSKCTSC | |
| SCHEMBL10043319 | 0.87 | SPHK1 (0.43) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL7020418 | 0.87 | CYP2C9 (0.44) | ESR2CYP2C9MAPTALDH1A1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0754668-B1 | Fluorobenzylether derivatives | ROLIC AG (CH) | 2003-02-05 | — | — | EP | disclosed |
| EP-0754668-A2 | Fluorobenzylether derivatives | Rolic AG (CH) | 1997-01-22 | — | — | EP | disclosed |