Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL126258 | 0.89 | CYP3A4 (0.47) | RAPGEF4ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL31195429 | 0.87 | CYP3A4 (0.46) | RAPGEF4ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL10346526 | 0.87 | CYP3A4 (0.46) | RAPGEF4ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL10346361 | 0.87 | CYP3A4 (0.46) | RAPGEF4ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL8090787 | 0.87 | CYP3A4 (0.46) | RAPGEF4ALDH1A1CYP1A2CYP3A4TSHR | |
| Cycloheptanone SCHEMBL10800897 | 0.78 | PDK2 (0.44) | ALDH1A1CYP1A2CYP3A4TSHRSMN1; SMN2 | |
| Cyclohexanone SCHEMBL10801298 | 0.78 | PDK2 (0.44) | ALDH1A1CYP1A2CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL10346907 | 0.78 | RAPGEF4 (0.45) | RAPGEF4ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL3768702 | 0.76 | KDM4E (0.46) | ALDH1A1CYP1A2CYP3A4TSHRHPGD | |
| SCHEMBL9664516 | 0.76 | RAPGEF4 (0.41) | RAPGEF4ALDH1A1CYP1A2CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1905418-A2 | Hydrogen peroxide activation with N-heterocycles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2008-04-02 | — | — | EP | disclosed |