Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | DHFR | P00374 | 5/20 | 0.47 |
| ▸ | HEXA | P06865 | 1/20 | 0.47 |
| ▸ | HEXB | P07686 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 3/20 | 0.46 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TNKS | O95271 | 2/20 | 0.45 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL4273194 | 0.86 | KDM4E (0.49) | KDM4EDHFRPARP1PLA2G2AALOX15 | |
| SCHEMBL3121094 | 0.85 | KDM4E (0.48) | KDM4EDHFRPARP1PLA2G2AALOX15 | |
| SCHEMBL27870414 | 0.83 | PIK3CG (0.57) | DHFRPARP1NPC1PKMRAB9A | |
| SCHEMBL27870416 | 0.83 | HEXA (0.43) | DHFRHEXAHEXBPARP1TNKS | |
| SCHEMBL15756441 | 0.82 | MAP4K4 (0.48) | KDM4EPARP1PLA2G2AALOX15PTGS2 | |
| SCHEMBL27886649 | 0.80 | MMP2 (0.41) | KDM4EDHFRPARP1NPC1RAB9A | |
| SCHEMBL27870415 | 0.80 | MGAM (0.44) | KDM4EDHFRPARP1ALDH1A1NPC1 | |
| SCHEMBL2947301 | 0.80 | PDE2A (0.48) | KDM4EALDH1A1 | |
| SCHEMBL27886638 | 0.80 | ALDH1A1 (0.47) | KDM4EDHFRPARP1ALDH1A1NPC1 | |
| SCHEMBL28230094 | 0.78 | PARP1 (0.45) | KDM4EPARP1ALDH1A1NPC1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108371662-B | Application of five-membered heterocyclic pyrimidine compound | 中国药科大学 | 2023-03-03 | — | — | CN | claimed |
| CN-108371662-A | A kind of application of five-ring heterocycles miazines compound | 中国药科大学 | 2018-08-07 | — | — | CN | claimed |
| CN-108371662-A | A kind of application of five-ring heterocycles miazines compound | 中国药科大学 | 2018-08-07 | — | — | CN | disclosed |