Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 4/20 | 0.52 |
| ▸ | CTSA | P10619 | 2/20 | 0.49 |
| ▸ | EEF2K | O00418 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MDM4 | O15151 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3835254 | 0.89 | CASP3 (0.59) | CASP3KMT2AMDM4TP53 | |
| SCHEMBL3199894 | 0.89 | CASP3 (0.59) | CASP3KMT2AMDM4TP53 | |
| SCHEMBL31299005 | 0.89 | CASP3 (0.59) | CASP3KMT2AMDM4TP53 | |
| SCHEMBL3199882 | 0.89 | CASP3 (0.59) | CASP3KMT2AMDM4TP53 | |
| SCHEMBL29624364 | 0.89 | CASP3 (0.59) | CASP3KMT2AMDM4TP53 | |
| SCHEMBL26140123 | 0.89 | CTSA (0.52) | MDM2CASP3CTSAKMT2AMDM4 | |
| SCHEMBL26654411 | 0.88 | CASP3 (0.58) | CASP3KMT2AMDM4TP53 | |
| SCHEMBL26654416 | 0.88 | CASP3 (0.58) | CASP3KMT2AMDM4TP53 | |
| SCHEMBL5846051 | 0.87 | CASP3 (0.55) | MDM2CASP3CTSAKMT2AMDM4 | |
| SCHEMBL6509370 | 0.86 | CASP3 (0.54) | CASP3KMT2AMDM4TP53 |
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-2350031-A2 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA | Ensemble Therapeutics Corporation (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010022249-A2 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA | ENSEMBLE DISCOVERY CORPORATION (US) | 2010-02-25 | — | — | WO | disclosed |