Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC17A5 | Q9NRA2 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MDM4 | O15151 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12122944 | 0.87 | SLC17A5 (0.58) | SLC17A5CASP3BRD4TP53MDM4 | |
| SCHEMBL178660 | 0.87 | SLC17A5 (0.58) | SLC17A5CASP3BRD4TP53MDM4 | |
| SCHEMBL178559 | 0.87 | SLC17A5 (0.58) | SLC17A5CASP3BRD4TP53MDM4 | |
| SCHEMBL29445599 | 0.73 | CASP3 (0.51) | SLC17A5CASP3TP53MDM4KMT2A | |
| SCHEMBL29445618 | 0.72 | CASP3 (0.53) | CASP3TP53MDM4KMT2AEPHX2 | |
| SCHEMBL12510996 | 0.72 | CASP3 (0.53) | CASP3TP53MDM4KMT2AEPHX2 | |
| SCHEMBL12119911 | 0.72 | MAOA (0.47) | BRD4TP53KDM4EALOX15CYP1A2 | |
| SCHEMBL12119908 | 0.72 | MAOA (0.47) | BRD4TP53KDM4EALOX15CYP1A2 | |
| SCHEMBL12261165 | 0.71 | CASP3 (0.57) | CASP3TP53MDM4KMT2AEPHX2 | |
| SCHEMBL10187000 | 0.71 | CASP3 (0.60) | CASP3TP53MDM4KMT2AEPHX2 |
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-8058442-B2 | Neuroprotective iron chelators and pharmaceutical compositions comprising them | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2011-11-15 | — | — | US | disclosed |