Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | MDM4 | O15151 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | FABP7 | O15540 | 1/20 | 0.41 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14787492 | 1.00 | CASP3 (0.56) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL13570148 | 0.88 | CASP3 (0.60) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL10187000 | 0.88 | CASP3 (0.60) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL12261165 | 0.88 | CASP3 (0.57) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL15223381 | 0.88 | CASP3 (0.57) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL14160419 | 0.88 | CASP3 (0.57) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL13778142 | 0.87 | CASP3 (0.56) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL29354463 | 0.87 | CASP3 (0.56) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL31498750 | 0.86 | CASP3 (0.71) | CASP3KMT2AEPHX2MDM4TP53 | |
| SCHEMBL29352794 | 0.86 | CASP3 (0.55) | CASP3KMT2AEPHX2MDM4TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-7960506-B2 | Bis-sulfhydryl macrocyclization systems | AILERON THERAPEUTICS, INC. (US) | 2011-06-14 | — | — | US | disclosed |