Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1810392 | 0.82 | ESR1 (0.59) | ESR1ESR2KMT2AMEN1LMNA | |
| Fluoride Ion SCHEMBL6552947 | 0.80 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1LMNA | |
| Fluoride Ion SCHEMBL6552743 | 0.80 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1LMNA | |
| Fluoride Ion SCHEMBL6553165 | 0.80 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1LMNA | |
| Bromide SCHEMBL7115821 | 0.77 | ESR1 (0.50) | ESR1ESR2KMT2AMEN1LMNA | |
| SCHEMBL23935895 | 0.76 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1LMNA | |
| Bromide SCHEMBL6553179 | 0.76 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1LMNA | |
| Hydrochloric Acid SCHEMBL6554213 | 0.76 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1LMNA | |
| Hydrochloric Acid SCHEMBL6552739 | 0.76 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1LMNA | |
| Bromide SCHEMBL6552779 | 0.76 | ESR1 (0.53) | ESR1ESR2KMT2AMEN1LMNA |
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-0834514-B1 | Process for synthesizing metallocene compounds | KANTO KAGAKU (JP) | 2003-10-22 | — | — | EP | disclosed |