Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CDK7 | P50613 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | CCNH | P51946 | 1/20 | 0.39 |
| ▸ | POLA1 | P09884 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 2/20 | 0.34 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.34 |
| ▸ | MAP3K6 | O95382 | 1/20 | 0.34 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.33 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14938925 | 0.81 | ALDH1A1 (0.42) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL18171562 | 0.81 | HDAC6 (0.40) | ALDH1A1KDM4ERXFP1HDAC6CDK2 | |
| SCHEMBL788098 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL7771676 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL30556758 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL1721311 | 0.79 | ALDH1A1 (0.55) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL4520172 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL29599053 | 0.79 | RXFP1 (0.51) | ALDH1A1KDM4ERXFP1HDAC6CDK2 | |
| SCHEMBL30119558 | 0.79 | ALDH1A1 (0.46) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL29400266 | 0.75 | KDM4E (0.46) | ALDH1A1KDM4ERXFP1CDK2PAK1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114292269-B | O-aminopurine benzamide derivative and preparation method and application thereof | 南昌大学 | 2024-03-29 | — | — | CN | disclosed |
| CN-114292269-A | O-aminopurine benzamide derivative and preparation method and application thereof | 南昌大学 | 2022-04-08 | — | — | CN | disclosed |
| CN-107513064-B | A kind of purine hydroxamic acid derivs and its preparation method and application | 南昌大学 | 2019-07-09 | — | — | CN | disclosed |
| CN-107513064-B | A kind of purine hydroxamic acid derivs and its preparation method and application | 南昌大学 | 2019-07-09 | — | — | CN | disclosed |
| CN-107513064-B | A kind of purine hydroxamic acid derivs and its preparation method and application | 南昌大学 | 2019-07-09 | — | — | CN | disclosed |
| CN-107513064-A | A kind of purine hydroxamic acid derivs and its preparation method and application | 南昌大学 | 2017-12-26 | — | — | CN | disclosed |
| CN-107513064-A | A kind of purine hydroxamic acid derivs and its preparation method and application | 南昌大学 | 2017-12-26 | — | — | CN | disclosed |
| CN-107513064-A | A kind of purine hydroxamic acid derivs and its preparation method and application | 南昌大学 | 2017-12-26 | — | — | CN | disclosed |