Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA5 | O75582 | 6/20 | 0.47 |
| ▸ | RPS6KA4 | O75676 | 2/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.43 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29388268 | 0.82 | ROCK1 (0.47) | RPS6KA5ROCK1CDC7CDK2MAP3K14 | |
| SCHEMBL28307170 | 0.82 | ROCK1 (0.47) | RPS6KA5ROCK1CDC7CDK2MAP3K14 | |
| SCHEMBL29961473 | 0.79 | MAPT (0.49) | RPS6KA5RPS6KA4ROCK1CDC7CDK2 | |
| SCHEMBL31735756 | 0.79 | PRKCI (0.49) | RPS6KA5RPS6KA4ROCK1CDC7CDK2 | |
| SCHEMBL28901206 | 0.79 | RPS6KA5 (0.51) | RPS6KA5RPS6KA4ROCK1CDC7CDK2 | |
| SCHEMBL28371918 | 0.79 | ROCK1 (0.57) | RPS6KA5RPS6KA4ROCK1HTR2AHTR2C | |
| SCHEMBL7914102 | 0.79 | ROCK1 (0.57) | RPS6KA5RPS6KA4ROCK1CDC7CDK2 | |
| SCHEMBL28370777 | 0.79 | MAPT (0.49) | RPS6KA5RPS6KA4ROCK1CDC7CDK2 | |
| SCHEMBL20647687 | 0.79 | ROCK2 (0.36) | RPS6KA5ROCK1CDC7CDK2MAP3K14 | |
| SCHEMBL17671266 | 0.76 | MEN1 (0.38) | CDC7ROCK2PIM1PIM3SLC6A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109678810-B | 1,2-oxygen nitrogen heterocyclic butane compound and preparation method and application thereof | 南京工业大学 | 2022-10-28 | — | — | CN | claimed |
| CN-109678810-B | 1,2-oxygen nitrogen heterocyclic butane compound and preparation method and application thereof | 南京工业大学 | 2022-10-28 | — | — | CN | disclosed |
| CN-106279236-B | Method for synthesizing 2-triisopropyl silicon-based acetylene indole compound | 南京理工大学 | 2020-04-10 | — | — | CN | disclosed |
| CN-110563701-A | N-2-pyrimidine-2-azido-3- (2,2,6, 6-tetramethylpiperidinyloxy) indoline and preparation and application thereof | 浙江工业大学 | 2019-12-13 | — | — | CN | disclosed |