Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.31 |
| ▸ | ACLY | P53396 | 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 | |
|---|---|---|---|---|
| SCHEMBL2055477 | 0.80 | CYP3A4 (0.41) | CYP3A4KAT6A | |
| SCHEMBL2098962 | 0.78 | CYP3A4 (0.38) | CYP3A4F2KAT6A | |
| SCHEMBL2055363 | 0.76 | CYP3A4 (0.38) | CYP3A4F2 | |
| SCHEMBL1319419 | 0.74 | KEAP1 (0.43) | CYP3A4 | |
| SCHEMBL12115634 | 0.74 | CYP3A4 (0.38) | CYP3A4 | |
| SCHEMBL3694345 | 0.73 | ALDH1A1 (0.47) | CYP3A4 | |
| SCHEMBL1110198 | 0.70 | CYP3A4 (0.36) | CYP3A4ACLY | |
| SCHEMBL3277272 | 0.70 | ALDH1A1 (0.32) | ACLY | |
| SCHEMBL2055412 | 0.68 | CYP3A4 (0.78) | CYP3A4ACLY | |
| SCHEMBL3278163 | 0.67 | HCRTR1 (0.38) | CYP3A4KAT6AACLY |
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-2200987-A1 | ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | Boehringer Ingelheim International GmbH (DE) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009030715-A1 | ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-12 | — | — | WO | disclosed |