Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | FBP1 | P09467 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11751977 | 1.00 | KDM4E (0.54) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11753934 | 0.95 | ALDH1A1 (0.59) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11754948 | 0.91 | PTGS2 (0.50) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11747898 | 0.88 | ALDH1A1 (0.71) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11752472 | 0.88 | ALDH1A1 (0.71) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11752931 | 0.84 | KDM4E (0.55) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11755296 | 0.84 | KDM4E (0.55) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11747789 | 0.83 | KDM4E (0.51) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11745477 | 0.83 | KDM4E (0.51) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11752868 | 0.83 | KDM4E (0.57) | KDM4EPTGS2PTGS1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4051250-A | OXAZOLE, THIAZOLE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-09-27 | — | — | US | disclosed |
| US-3933840-A | ANTIPHLOGISTIC | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-01-20 | — | — | US | disclosed |