Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 4/20 | 0.71 |
| ▸ | HEXB | P07686 | 4/20 | 0.71 |
| ▸ | FTO | Q9C0B1 | 4/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.64 |
| ▸ | POLB | P06746 | 3/20 | 0.60 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.60 |
| ▸ | AHR | P35869 | 1/20 | 0.60 |
| ▸ | RAD52 | P43351 | 1/20 | 0.60 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | STAT6 | P42226 | 1/20 | 0.54 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.54 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | TERT | O14746 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11440392 | 0.86 | FTO (0.71) | HEXAHEXBFTOCYP2D6PABPC1 | |
| SCHEMBL4188839 | 0.85 | FTO (0.70) | HEXAHEXBFTOCYP2D6PABPC1 | |
| SCHEMBL13211641 | 0.84 | HEXA (0.78) | HEXAHEXBFTOCYP2D6PABPC1 | |
| SCHEMBL1357011 | 0.84 | HEXA (1.00) | HEXAHEXBFTOCYP2D6PABPC1 | |
| SCHEMBL11447427 | 0.84 | FTO (0.66) | HEXAHEXBFTOCYP2D6PABPC1 | |
| Benzene SCHEMBL28654830 | 0.82 | HEXA (0.97) | HEXAHEXBFTOCYP2D6PABPC1 | |
| Hydrochloric Acid SCHEMBL16213603 | 0.82 | HEXA (0.97) | HEXAHEXBFTOCYP2D6PABPC1 | |
| SCHEMBL14507176 | 0.82 | FTO (0.75) | HEXAHEXBFTOCYP2D6PABPC1 | |
| SCHEMBL5270794 | 0.82 | FTO (0.69) | HEXAHEXBFTOCYP2D6PABPC1 | |
| SCHEMBL5267061 | 0.82 | FTO (0.67) | HEXAHEXBFTOCYP2D6PABPC1 |
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-2018106980-A1 | LIPOSOMAL ELINAFIDE FORMULATIONS AND USES THEREOF | MALLINCKRODT LLC (US) | 2018-06-14 | — | — | WO | disclosed |