Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTO1 | P78417 | 2/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6276630 | 0.86 | CA1 (0.48) | CA2CA1KMT2A | |
| SCHEMBL48740 | 0.83 | GSTO1 (0.41) | GSTO1CCR2LMNACA2CA1 | |
| SCHEMBL1545666 | 0.82 | KCNH2 (0.34) | CCR2CYP4F2CYP4A11 | |
| SCHEMBL2760747 | 0.81 | SLC6A4 (0.43) | GSTO1CCR2LMNACA2ALDH1A1 | |
| SCHEMBL1015882 | 0.80 | GSTO1 (0.44) | GSTO1CCR2LMNACYP4F2CYP4A11 | |
| SCHEMBL6397475 | 0.79 | L3MBTL1 (0.51) | ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1 | |
| SCHEMBL3912501 | 0.79 | GPR119 (0.43) | CCR2 | |
| SCHEMBL1351021 | 0.79 | PIK3CA (0.50) | LMNACA2VNN1MAPTSMN1; SMN2 | |
| SCHEMBL28945097 | 0.78 | GSTO1 (0.44) | GSTO1CCR2LMNAGLAALDH1A1 | |
| SCHEMBL1013610 | 0.77 | GSTO1 (0.44) | GSTO1CCR2LMNACA2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2245181-A1 | SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS | CELLZOME AG (DE) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009098021-A1 | SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS | CELLZOME AG (DE) | 2009-08-13 | — | — | WO | disclosed |
| WO-2008015013-A1 | METHODS FOR THE IDENTIFICATION OF PI3K INTERACTING MOLECULES AND FOR THE PURIFICATION OF PI3K | CELLZOME AG (DE) | 2008-02-07 | — | — | WO | disclosed |