Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL439492 | 0.80 | ESR1 (0.48) | ESR1ESR2NR1H2NR1H3TSHR | |
| SCHEMBL843029 | 0.75 | ESR1 (0.44) | ESR1ESR2NR1H2NR1H3TSHR | |
| SCHEMBL239179 | 0.73 | ESR1 (0.48) | ESR1ESR2NR1H2NR1H3TSHR | |
| SCHEMBL2169977 | 0.73 | ESR1 (0.48) | ESR1ESR2NR1H2NR1H3TSHR | |
| SCHEMBL63526 | 0.73 | ESR1 (0.70) | ESR1ESR2NR1H2NR1H3TSHR | |
| SCHEMBL92396 | 0.73 | ESR1 (0.48) | ESR1ESR2NR1H2NR1H3TSHR | |
| SCHEMBL19873264 | 0.73 | ESR1 (0.42) | ESR1ESR2NR1H2NR1H3TSHR | |
| SCHEMBL10150936 | 0.73 | ESR1 (0.42) | ESR1ESR2NR1H2NR1H3TSHR | |
| SCHEMBL7768857 | 0.71 | ESR1 (0.46) | ESR1ESR2NR1H2NR1H3TSHR | |
| Phosphine SCHEMBL28991719 | 0.71 | ESR1 (0.46) | ESR1ESR2NR1H2NR1H3TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1754709-A1 | Process for preparing vinylphosphates | DSM IP Assets B.V. (NL) | 2007-02-21 | — | — | EP | disclosed |
| EP-1509484-A2 | PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS | DSM IP Assets B.V. (NL) | 2005-03-02 | — | — | EP | disclosed |
| WO-2003102202-A2 | PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS | DSM IP ASSETS B.V. (NL) | 2003-12-11 | — | — | WO | disclosed |
| US-6608212-B1 | Palladium catalyzed coupling of a vinylphosphate and aryl-metal halide; preparation of such as 1-(4-(2-(pyrrolidin-n-yl)-ethoxy)phenyl)-6-methoxy-3,4-dihydronaphthalene | PFIZER, INC. | 2003-08-19 | — | — | US | disclosed |