Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.32 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19295168 | 0.85 | PPARA (0.33) | KDM1ASMN1; SMN2 | |
| SCHEMBL20805777 | 0.81 | CASR (0.33) | KDM1ACASRKDM4ES1PR1TLR9 | |
| SCHEMBL17486287 | 0.76 | CHRNA1 (0.34) | KDM1AKDM4EALDH1A1 | |
| SCHEMBL19295180 | 0.76 | IKBKB (0.35) | KDM1ACASR | |
| SCHEMBL20805776 | 0.76 | CNR2 (0.32) | KDM1A | |
| SCHEMBL17486201 | 0.71 | PDGFRB (0.32) | — | |
| SCHEMBL17486052 | 0.69 | DHODH (0.35) | — | |
| SCHEMBL20805515 | 0.68 | CYP11B1 (0.35) | — | |
| SCHEMBL17486185 | 0.67 | CYP11B1 (0.35) | — | |
| SCHEMBL17485992 | 0.66 | MEN1 (0.40) | KDM1AHPGDKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3174890-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-03-13 | — | — | EP | disclosed |
| WO-2016015815-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2016-02-04 | — | — | WO | disclosed |