Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | PTPRC | P08575 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24710782 | 0.91 | TSHR (0.52) | TSHRLMNAPTPRCALDH1A1ACHE | |
| SCHEMBL31000860 | 0.91 | TSHR (0.52) | TSHRLMNAPTPRCALDH1A1ACHE | |
| SCHEMBL11691192 | 0.85 | TSHR (0.57) | TSHRLMNAPTPRCALDH1A1ACHE | |
| SCHEMBL31290282 | 0.85 | TSHR (0.57) | TSHRLMNAPTPRCALDH1A1ACHE | |
| SCHEMBL8942683 | 0.85 | TSHR (0.57) | TSHRLMNAPTPRCALDH1A1ACHE | |
| SCHEMBL439710 | 0.85 | TSHR (0.61) | TSHRLMNAPTPRCALDH1A1ACHE | |
| SCHEMBL29703748 | 0.85 | TSHR (0.61) | TSHRLMNAPTPRCALDH1A1ACHE | |
| Hydrochloric Acid SCHEMBL155429 | 0.83 | KIF11 (0.59) | TSHRLMNAPTPRCALDH1A1ACHE | |
| SCHEMBL29203888 | 0.83 | KIF11 (0.59) | TSHRLMNAPTPRCALDH1A1ACHE | |
| Hydrochloric Acid SCHEMBL155430 | 0.83 | KIF11 (0.59) | TSHRLMNAPTPRCALDH1A1ACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022261352-A1 | PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2022-12-15 | — | — | WO | disclosed |
| CN-104829420-B | A kind of method that directly aryl diazonium salts is carried out seven fluorine isopropylations by hexafluoropropene | 中国科学院上海有机化学研究所 | 2016-09-14 | — | — | CN | disclosed |
| CN-104829420-A | Method for carrying out direct heptafluoro-isopropylation on aryl diazo salts through hexafluoropropylene | SHANGHAI INST ORGANIC CHEM | 2015-08-12 | — | — | CN | disclosed |