Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | COMT | P21964 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 4/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6197102 | 0.80 | KDM4E (0.54) | HTTKDM4ETP53CYP2D6SMN1; SMN2 | |
| SCHEMBL6199498 | 0.79 | KDM4E (0.59) | HTTKDM4ETP53CYP2D6SMN1; SMN2 | |
| SCHEMBL6949699 | 0.77 | KDM4E (0.53) | HTTKDM4ETP53CYP2D6SMN1; SMN2 | |
| SCHEMBL6199137 | 0.76 | KDM4E (0.40) | HTTKDM4ETP53CYP2D6SMN1; SMN2 | |
| SCHEMBL8850220 | 0.73 | SMN1; SMN2 (0.49) | HTTKDM4ETP53CYP2D6SMN1; SMN2 | |
| SCHEMBL8329766 | 0.71 | KDM4E (0.39) | KDM4EMMP9MAOAMAOBELANE | |
| SCHEMBL13946853 | 0.70 | KDM4E (0.35) | HTTKDM4ETP53CYP2D6SMN1; SMN2 | |
| SCHEMBL6197430 | 0.70 | KDM4E (0.49) | HTTKDM4ETP53CYP2D6SMN1; SMN2 | |
| SCHEMBL1359033 | 0.69 | HTT (0.50) | HTTCYP2D6SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL3355305 | 0.69 | HTT (0.67) | HTTKDM4ETP53CYP2D6SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0768302-B1 | Hydroxypyridinones | NOVARTIS AG (CH) | 2005-07-06 | — | — | EP | disclosed |
| US-5688815-A | COMPOUNDS FOR REMOVAL OF EXCESS IRON IN MAMMALS | CIBA GEIGY CORPORATION (US) | 1997-11-18 | — | — | US | disclosed |
| EP-0768302-A2 | Hydroxypyridinones | Novartis AG (CH) | 1997-04-16 | — | — | EP | disclosed |