Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.39 |
| ▸ | MDM4 | O15151 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | SLC17A5 | Q9NRA2 | 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 | |
|---|---|---|---|---|
| SCHEMBL15281424 | 0.89 | CASP3 (0.44) | CASP3MDM4TP53KMT2AALDH1A1 | |
| SCHEMBL872752 | 0.89 | CASP3 (0.44) | CASP3MDM4TP53KMT2AALDH1A1 | |
| SCHEMBL23728631 | 0.89 | CASP3 (0.44) | CASP3MDM4TP53KMT2AALDH1A1 | |
| SCHEMBL18551519 | 0.85 | MDM2 (0.43) | CASP3MDM4TP53KMT2AALDH1A1 | |
| SCHEMBL31498720 | 0.84 | MDM2 (0.36) | CASP3MDM4TP53MDM2PTPN1 | |
| SCHEMBL2641803 | 0.82 | BRD4 (0.41) | MDM4TP53ALDH1A1MAPTHPGD | |
| SCHEMBL15182047 | 0.82 | BRD4 (0.41) | MDM4TP53ALDH1A1MAPTHPGD | |
| SCHEMBL15106634 | 0.82 | BRD4 (0.41) | MDM4TP53ALDH1A1MAPTHPGD | |
| SCHEMBL30410248 | 0.82 | ALDH1A1 (0.42) | CASP3MDM4TP53ALDH1A1MAPT | |
| SCHEMBL25695323 | 0.82 | ALDH1A1 (0.42) | CASP3MDM4TP53ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2569434-A2 | COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA | Dana-Farber Cancer Institute, Inc. (US) | 2013-03-20 | — | — | EP | disclosed |
| EP-2569429-A1 | COMPOSITIONS AND METHODS FOR MODULATING METABOLISM | Dana-Farber Cancer Institute, Inc. (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143651-A1 | COMPOSITIONS AND METHODS FOR MODULATING METABOLISM | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2011-11-17 | — | — | WO | disclosed |
| WO-2011143660-A2 | COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2011-11-17 | — | — | WO | disclosed |