Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | LTA4H | P09960 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL31263853 | 0.87 | LTA4H (0.50) | KDM4ELTA4H | |
| SCHEMBL31263861 | 0.86 | ALDH1A1 (0.55) | KDM4EALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL31263779 | 0.83 | KDM4E (0.51) | KDM4EALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL991354 | 0.80 | ALDH1A1 (0.76) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL7887532 | 0.79 | ALDH1A1 (0.74) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL19234896 | 0.79 | KDM4E (0.62) | KDM4EALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL26966400 | 0.79 | KDM4E (0.62) | KDM4EALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL19234899 | 0.79 | KDM4E (0.62) | KDM4EALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL29179730 | 0.78 | ALDH1A1 (0.59) | KDM4EALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL104326 | 0.78 | MEN1 (0.70) | KDM4EALDH1A1NPC1RAB9AMEN1 |
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 |