Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.38 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL11016868 | 0.91 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| SCHEMBL11449520 | 0.79 | KDM4E (0.61) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| Hydrochloric Acid SCHEMBL11450547 | 0.79 | KDM4E (0.61) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| SCHEMBL11011501 | 0.78 | PDXK (0.35) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| SCHEMBL11239732 | 0.78 | CYP1A2 (0.33) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| SCHEMBL11449521 | 0.78 | KDM4E (0.59) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| SCHEMBL11449597 | 0.78 | KDM4E (0.59) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| SCHEMBL11461366 | 0.76 | KDM4E (0.58) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| SCHEMBL11450052 | 0.75 | KDM4E (0.56) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| Pyritinol SCHEMBL30029763 | 0.75 | KDM4E (0.73) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4212976-A | ANTIARTHRITIC AGENTS | MERCK & CO., INC. (US) | 1980-07-15 | — | — | US | disclosed |
| US-4057637-A | RHEUMATOID ARTHRITIS | MERCK & CO., INC. (US) | 1977-11-08 | — | — | US | disclosed |
| US-3971797-A | ANTIARTHRITIC | MERCK & CO., INC. (US) | 1976-07-27 | — | — | US | disclosed |