Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.49 |
| ▸ | FABP7 | O15540 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | MDM4 | O15151 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9188706 | 1.00 | CASP3 (0.50) | CASP3KMT2AFABP5FABP7CYP1A2 | |
| SCHEMBL30983194 | 1.00 | CASP3 (0.50) | CASP3KMT2AFABP5FABP7CYP1A2 | |
| SCHEMBL9500863 | 0.88 | KMT2A (0.50) | CASP3KMT2AFABP5FABP7CYP1A2 | |
| SCHEMBL16128277 | 0.87 | CASP3 (0.50) | CASP3KMT2AFABP5FABP7CYP1A2 | |
| SCHEMBL25309457 | 0.87 | KMT2A (0.49) | CASP3KMT2AFABP5FABP7CYP1A2 | |
| SCHEMBL8722918 | 0.86 | KMT2A (0.53) | CASP3KMT2AFABP5FABP7CYP1A2 | |
| SCHEMBL6807835 | 0.86 | KMT2A (0.53) | CASP3KMT2AFABP5FABP7CYP1A2 | |
| SCHEMBL8453691 | 0.85 | KMT2A (0.52) | CASP3KMT2AFABP5FABP7CA1 | |
| SCHEMBL1436990 | 0.85 | KMT2A (0.56) | CASP3KMT2AFABP5FABP7CA1 | |
| SCHEMBL9660107 | 0.84 | CYP1A2 (0.53) | CASP3KMT2AFABP5FABP7CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114729006-A | Cyclic peptide compounds having Kras inhibitory activity | 中外制药株式会社 | 2022-07-08 | — | — | CN | claimed |
| CN-114729006-A | Cyclic peptide compounds having Kras inhibitory activity | 中外制药株式会社 | 2022-07-08 | — | — | CN | disclosed |
| US-6660832-B1 | Cyclic peptide compounds with fused benzene rings; solid phase synthesis thereof; use as antibiotic to treat bacterial infection in mammals; may work by binding to RNA targets | ISIS PHARMACEUTICALS, INC. | 2003-12-09 | — | — | US | disclosed |
| WO-2001014346-A1 | MACROCYCLIC COMPOUNDS AND PREPARATION METHODS THEREOF | ISIS PHARMACEUTICALS, INC. (US) | 2001-03-01 | — | — | WO | disclosed |