Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31264038 | 0.83 | KDM4E (0.60) | KDM4EALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL25377523 | 0.81 | DRD1 (0.54) | KDM4EALDH1A1DRD1MEN1KMT2A | |
| SCHEMBL25380103 | 0.81 | DRD1 (0.54) | KDM4EALDH1A1DRD1MEN1KMT2A | |
| SCHEMBL31263861 | 0.79 | ALDH1A1 (0.55) | KDM4ETDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL31263853 | 0.78 | LTA4H (0.50) | KDM4ETDP1DRD2 | |
| SCHEMBL25376166 | 0.77 | LTA4H (0.51) | KDM4EALDH1A1DRD1HTTMEN1 | |
| SCHEMBL25378441 | 0.77 | LTA4H (0.51) | KDM4EALDH1A1DRD1HTTMEN1 | |
| SCHEMBL25156061 | 0.76 | ALDH1A1 (0.49) | KDM4EALDH1A1DRD1MEN1KMT2A | |
| SCHEMBL30581938 | 0.76 | DRD1 (0.48) | KDM4EALDH1A1DRD1HTTMEN1 | |
| SCHEMBL25379791 | 0.72 | KDM1A (0.55) | KDM4EALDH1A1DRD1HTTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119053587-A | 5- [7- (3, 4-Dihydro-1H-isoquinoline-2-carbonyl) -1,2,3,4 tetrahydroisoquinolin-6-yl ] -1H-pyrrole-3-carboxamide derivatives, pharmaceutical compositions containing same and use thereof as pro-apoptotic agents | 法国施维雅药厂 | 2024-11-29 | — | — | CN | disclosed |