Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.48 |
| ▸ | TLR2 | O60603 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MDM4 | O15151 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12635230 | 0.91 | CASP3 (0.50) | CASP3TLR2KMT2AMDM4TP53 | |
| SCHEMBL12635233 | 0.86 | CASP3 (0.45) | CASP3TLR2KMT2AMDM4TP53 | |
| SCHEMBL12635323 | 0.83 | CASP3 (0.45) | CASP3TLR2KMT2AMDM4TP53 | |
| SCHEMBL12635334 | 0.83 | CASP3 (0.45) | CASP3TLR2KMT2AMDM4TP53 | |
| SCHEMBL12635234 | 0.81 | CASP3 (0.60) | CASP3TLR2KMT2AMDM4TP53 | |
| SCHEMBL12635331 | 0.81 | CASP3 (0.60) | CASP3TLR2KMT2AMDM4TP53 | |
| SCHEMBL12635325 | 0.80 | CASP3 (0.41) | CASP3TLR2MDM4TP53TNF | |
| SCHEMBL13570148 | 0.80 | CASP3 (0.60) | CASP3KMT2AMDM4TP53 | |
| SCHEMBL10187000 | 0.80 | CASP3 (0.60) | CASP3KMT2AMDM4TP53 | |
| SCHEMBL12635327 | 0.79 | CASP3 (0.60) | CASP3TLR2KMT2AMDM4TP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011053821-A1 | MACROCYCLIC GHRELIN RECEPTOR ANTAGONISTS AND INVERSE AGONISTS AND METHODS OF USING THE SAME | TRANZYME PHARMA, INC. (US) | 2011-05-05 | — | — | WO | disclosed |