Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | TMPRSS4 | Q9NRS4 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NT5E | P21589 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL21377607 | 0.82 | F2 (0.42) | F2TSHRCYP2D6TMPRSS4TP53 | |
| SCHEMBL11574176 | 0.75 | TSHR (0.56) | F2TSHRCYP2D6TMPRSS4TP53 | |
| SCHEMBL20213897 | 0.74 | CA12 (0.42) | CA2CA9CA12CA1 | |
| SCHEMBL8724038 | 0.73 | F2 (0.42) | F2TSHRCYP2D6TMPRSS4TP53 | |
| SCHEMBL8724036 | 0.73 | F2 (0.42) | F2TSHRCYP2D6TMPRSS4TP53 | |
| SCHEMBL11811491 | 0.70 | CYP2D6 (0.64) | F2TSHRCYP2D6TMPRSS4TP53 | |
| SCHEMBL10348147 | 0.70 | CYP3A4 (0.48) | F2TSHRCYP2D6TMPRSS4TP53 | |
| SCHEMBL11811487 | 0.70 | CYP2D6 (0.64) | F2TSHRCYP2D6TMPRSS4TP53 | |
| SCHEMBL20213987 | 0.69 | HTR3E (0.46) | TSHRTP53POLBALDH1A1PTGS1 | |
| SCHEMBL6308565 | 0.69 | LMNA (0.59) | F2TSHRCYP2D6TMPRSS4TP53 |
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-3548465-A1 | THIONYL TETRAFLUORIDE MODIFIED COMPOUNDS AND USES | The Scripps Research Institute (US) | 2019-10-09 | — | — | EP | disclosed |
| WO-2018102433-A1 | THIONYL TETRAFLUORIDE MODIFIED COMPOUNDS AND USES | THE SCRIPPS RESEARCH INSTITUTE (US) | 2018-06-07 | — | — | WO | disclosed |