Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22397439 | 0.85 | KDM4E (0.52) | KDM4EPDK1PDK2PDK3PDK4 | |
| SCHEMBL28459583 | 0.84 | PDK1 (0.64) | KDM4EPDK1PDK2PDK3PDK4 | |
| SCHEMBL22397694 | 0.75 | IDO1 (0.56) | KDM4EPDK1PDK2PDK3PDK4 | |
| SCHEMBL22397726 | 0.75 | KDM4E (0.48) | KDM4EPDK1PDK2PDK3PDK4 | |
| SCHEMBL29714098 | 0.75 | KDM4E (0.48) | KDM4EPDK1PDK2PDK3PDK4 | |
| SCHEMBL4026091 | 0.74 | KDM4E (0.71) | KDM4EPDK1PDK2PDK3PDK4 | |
| SCHEMBL22397671 | 0.73 | KDM4E (0.52) | KDM4EPDK1PDK2PDK3PDK4 | |
| SCHEMBL6626359 | 0.73 | NOTUM (0.49) | KDM4EPDK1PDK2PDK3PDK4 | |
| SCHEMBL13711475 | 0.73 | PDK1 (0.64) | PDK1PDK2PDK3PDK4LMNA | |
| SCHEMBL28936707 | 0.73 | NOTUM (0.49) | KDM4EPDK1PDK2PDK3PDK4 |
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-3703692-A1 | NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2020-09-09 | — | — | EP | disclosed |