Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | NLRP3 | Q96P20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29285234 | 0.86 | TSHR (0.50) | TSHRACHEALDH1A1TDP1MEN1 | |
| SCHEMBL29285241 | 0.85 | TSHR (0.34) | TSHRACHEMEN1KMT2A | |
| SCHEMBL6847124 | 0.80 | TSHR (0.62) | TSHRACHETDP1MEN1KMT2A | |
| SCHEMBL5488959 | 0.79 | TSHR (0.43) | TSHRALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL413500 | 0.78 | — | — | |
| SCHEMBL28367346 | 0.78 | TSHR (0.40) | TSHRACHEALDH1A1 | |
| SCHEMBL27689138 | 0.78 | PKM (0.36) | TSHRACHEALDH1A1TDP1NLRP3 | |
| SCHEMBL15977306 | 0.77 | TSHR (0.56) | TSHRACHEALDH1A1TDP1MEN1 | |
| SCHEMBL17943797 | 0.77 | CYP3A4 (0.48) | TSHRACHEALDH1A1MEN1KMT2A | |
| SCHEMBL7006853 | 0.77 | TSHR (0.56) | TSHRACHEALDH1A1TDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105636578-B | The purposes of pharmaceutical composition and (2- cyanoethyl) diethyl phosphonate | 欧拉泰克治疗有限责任公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-105636578-A | Pharmaceutical composition and use of diethyl (2-cyanoethyl)phosphonate | OLATEC IND LLC | 2016-06-01 | — | — | CN | disclosed |