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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 11/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 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 | |
|---|---|---|---|---|
| SCHEMBL3680645 | 0.93 | MEN1 (0.38) | MEN1KMT2ARECQLGPR84KDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL547978 | 0.90 | MEN1 (0.43) | MEN1KMT2ARECQLGPR84KDM4E | |
| SCHEMBL1041514 | 0.82 | MEN1 (0.47) | MEN1KMT2ARECQLGPR84KDM4E | |
| SCHEMBL6063712 | 0.78 | GPR84 (0.45) | MEN1KMT2ARECQLGPR84KDM4E | |
| SCHEMBL8902918 | 0.72 | CYP2D6 (0.51) | MEN1KMT2ARECQLGPR84KDM4E | |
| SCHEMBL24882318 | 0.69 | GPR84 (0.43) | MEN1KMT2ARECQLGPR84KDM4E | |
| SCHEMBL4780472 | 0.67 | GPR84 (0.54) | MEN1KMT2ARECQLGPR84KDM4E | |
| SCHEMBL31756884 | 0.67 | GPR84 (0.54) | MEN1KMT2ARECQLGPR84KDM4E | |
| SCHEMBL7915025 | 0.66 | MEN1 (0.56) | MEN1KMT2ARECQLGPR84KDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL28266656 | 0.66 | DNMT1 (0.41) | MEN1KMT2AGPR84KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-7072563-B2 | Waveguide compositions and waveguides formed therefrom | ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) | 2006-07-04 | — | — | US | disclosed |
| US-20050141839-A1 | Waveguide compositions and waveguides formed therefrom | ROHM AND HAAS ELECTRONIC MATERIALS, L.L.C. (US) | 2005-06-30 | — | — | US | disclosed |
| EP-1535977-A1 | Waveguide compositions and waveguides formed therefrom. | Rohm and Haas Electronic Materials, L.L.C. (US) | 2005-06-01 | — | — | EP | disclosed |