Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Perfluorotoluene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 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 | |
|---|---|---|---|---|
| SCHEMBL2437085 | 0.82 | SMN1; SMN2 (0.38) | SMN1; SMN2TSHRMEN1KMT2ACA1 | |
| Perfluorotoluene SCHEMBL308464 | 0.82 | SMN1; SMN2 (0.41) | SMN1; SMN2TSHRMEN1KMT2A | |
| SCHEMBL2437090 | 0.80 | CA1 (0.40) | SMN1; SMN2TSHRMEN1KMT2ACA1 | |
| SCHEMBL3168128 | 0.78 | SMN1; SMN2 (0.39) | SMN1; SMN2TSHRMEN1KMT2A | |
| Perfluorotoluene SCHEMBL28273865 | 0.78 | SMN1; SMN2 (0.39) | SMN1; SMN2TSHRMEN1KMT2A | |
| Perfluorotoluene SCHEMBL28760715 | 0.78 | SMN1; SMN2 (0.39) | SMN1; SMN2TSHRMEN1KMT2A | |
| SCHEMBL312355 | 0.78 | SMN1; SMN2 (0.42) | SMN1; SMN2TSHRMEN1KMT2A | |
| Sulfuric Acid SCHEMBL7708289 | 0.78 | CA5A (0.55) | TSHRMEN1KMT2ACA1CA2 | |
| SCHEMBL2437086 | 0.76 | PTPN1 (0.35) | CA1CA2MMP1MMP2MMP9 | |
| Hydrochloric Acid SCHEMBL28138119 | 0.75 | SMN1; SMN2 (0.38) | SMN1; SMN2TSHRMEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6447943-B1 | REDUCED FUEL CROSSOVER, REDUCED SENSITIVITY TO METAL ION IMPURITIES AND ABILITY TO OPERATE AT HIGHER TEMPERATURES; SOLID ELECTROLYTE MEMBRANE CONTAINS FREE ACID MOLECULES ENTRAPPED IN THE PORES OR BONDED TO THE INORGANIC POWDER | RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH & INDUSTRIAL DEVELOPMENT LTD. (IL) | 2002-09-10 | — | — | US | claimed |