Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 9/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Dimethyl Sulfone SCHEMBL17258778 | 0.81 | NOS3 (0.46) | KMT2AKDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL17591619 | 0.81 | KMT2A (0.38) | KMT2AKDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL27416291 | 0.77 | XDH (0.44) | ALDH1A1HPGD | |
| SCHEMBL14159470 | 0.76 | ALDH1A1 (0.56) | KMT2AKDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL31108446 | 0.76 | CYP11B2 (0.40) | KMT2AKDM4ELMNASMN1; SMN2MAPT | |
| SCHEMBL15047723 | 0.75 | NOS3 (0.45) | KMT2AKDM4EALDH1A1LMNACYP1A2 | |
| SCHEMBL21048809 | 0.75 | GAA (0.33) | KDM4EALDH1A1HTTLRRK2CYP11B1 | |
| SCHEMBL1626886 | 0.73 | PTK2 (0.37) | KDM4EALDH1A1HTTLRRK2 | |
| SCHEMBL27465877 | 0.73 | POLB (0.38) | LRRK2SCN9A | |
| SCHEMBL625135 | 0.73 | NOS3 (0.54) | KMT2AKDM4EALDH1A1LMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3191467-B1 | COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2020-10-21 | — | — | EP | disclosed |