Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL7785022 | 0.80 | CYP3A4 (0.47) | TSHR | |
| SCHEMBL491513 | 0.80 | TSHR (0.54) | TSHRACHETP53TDP1PPARD | |
| SCHEMBL8970872 | 0.78 | TSHR (0.30) | TSHR | |
| SCHEMBL2553720 | 0.77 | — | — | |
| SCHEMBL11726422 | 0.77 | PPARD (0.57) | TSHRACHETP53TDP1PPARD | |
| SCHEMBL9359445 | 0.77 | ACHE (0.39) | TSHRACHETP53TDP1PPARD | |
| SCHEMBL19398541 | 0.75 | TSHR (0.48) | TSHRACHETP53TDP1PPARD | |
| SCHEMBL575221 | 0.74 | — | — | |
| SCHEMBL9063517 | 0.74 | TSHR (0.43) | TSHRACHETP53TDP1PPARD | |
| SCHEMBL6187009 | 0.72 | TSHR (0.50) | TSHRACHETP53TDP1PPARD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0826690-B1 | Process for the preparation of 2-cyanoethyl-phosphinic acid esters | TICONA GMBH (DE) | 2001-11-14 | — | — | EP | disclosed |
| US-5990337-A | Process for the preparation of 2-cyanoethylphosphinic esters | TICONA GMBH (DE) | 1999-11-23 | — | — | US | disclosed |
| EP-0826690-A1 | Process for the preparation of 2-cyanoethyl-phosphinic acid esters | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-03-04 | — | — | EP | disclosed |