Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MLYCD | O95822 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5199877 | 0.81 | POLB (0.53) | CYP1A2SMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL23799182 | 0.78 | HRH3 (0.39) | SMN1; SMN2ALDH1A1ACACBMEN1KMT2A | |
| SCHEMBL17725298 | 0.77 | ACACB (0.43) | HPGDACACBPOLBHRH3DGAT2 | |
| SCHEMBL3827774 | 0.76 | TBXAS1 (0.43) | CYP1A2CYP3A4CYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL12999414 | 0.76 | POLB (0.45) | CYP1A2CYP3A4CYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL18896237 | 0.75 | NAAA (0.54) | SMN1; SMN2KDM4EALDH1A1HPGDMLYCD | |
| SCHEMBL8532598 | 0.74 | POLB (0.54) | CYP1A2CYP3A4CYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL414791 | 0.74 | NAMPT (0.46) | CYP1A2CYP3A4CYP2C19ALDH1A1ACACB | |
| SCHEMBL23303452 | 0.72 | NAAA (0.57) | CYP1A2CYP3A4CYP2C19SMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL29099329 | 0.72 | NAMPT (0.45) | CYP1A2CYP2C19ALDH1A1ACACBMEN1 |
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-2012065958-A1 | METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY | NOVARTIS AG (CH) | 2012-05-24 | — | — | WO | disclosed |