Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Perflubutane. 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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.48 |
| ▸ | CA1 | P00915 | 7/20 | 0.48 |
| ▸ | MMP1 | P03956 | 5/20 | 0.48 |
| ▸ | MMP2 | P08253 | 5/20 | 0.48 |
| ▸ | MMP9 | P14780 | 5/20 | 0.48 |
| ▸ | MMP8 | P22894 | 5/20 | 0.48 |
| ▸ | MMP13 | P45452 | 5/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 4/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 4/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 4/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Perflubutane SCHEMBL4458683 | 0.96 | CA2 (0.50) | CA2CA1MMP1MMP2MMP9 | |
| Sulfuric Acid SCHEMBL19348238 | 0.93 | CA2 (0.52) | CA2CA1MMP1MMP2MMP9 | |
| Sulfuric Acid SCHEMBL2819379 | 0.93 | CA2 (0.52) | CA2CA1MMP1MMP2MMP9 | |
| Perflubutane SCHEMBL10729483 | 0.93 | CA2 (0.48) | CA2CA1MMP1MMP2MMP9 | |
| Perflubutane SCHEMBL1302828 | 0.93 | CA2 (0.48) | CA2CA1MMP1MMP2MMP9 | |
| Sulfuric Acid SCHEMBL1303190 | 0.90 | CA2 (0.50) | CA2CA1MMP1MMP2MMP9 | |
| Sulfuric Acid SCHEMBL19690369 | 0.90 | CA2 (0.50) | CA2CA1MMP1MMP2MMP9 | |
| Perflutren SCHEMBL3944011 | 0.89 | CA5A (0.46) | CA2CA1MMP1MMP2MMP9 | |
| Perflubutane SCHEMBL6557063 | 0.86 | TSHR (0.57) | CA2CA1MMP1MMP2MMP9 | |
| Sulfuric Acid SCHEMBL27527827 | 0.85 | CA5A (0.50) | CA2CA1MMP1MMP2MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001052335-A2 | HIGH STRENGTH CARBON ANODE FOR A RECHARGEABLE LITHIUM ION ELECTROCHEMICAL CELL | COMSAT CORPORATION (US) | 2001-07-19 | — | — | WO | claimed |
| WO-2001052335-A2 | HIGH STRENGTH CARBON ANODE FOR A RECHARGEABLE LITHIUM ION ELECTROCHEMICAL CELL | COMSAT CORPORATION (US) | 2001-07-19 | — | — | WO | disclosed |