Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 2/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.52 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.51 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28519323 | 1.00 | PTGER4 (0.55) | PTGER4AURKARPS6KB1AURKBNR4A1 | |
| SCHEMBL30944279 | 1.00 | PTGER4 (0.55) | PTGER4AURKARPS6KB1AURKBNR4A1 | |
| SCHEMBL9127201 | 0.81 | SOS1 (0.47) | PTGER4AURKARPS6KB1AURKBLMNA | |
| SCHEMBL31011372 | 0.80 | MEN1 (0.65) | MEN1KMT2ALMNAGAA | |
| SCHEMBL29881755 | 0.80 | MEN1 (0.65) | MEN1KMT2ALMNAGAA | |
| SCHEMBL852349 | 0.80 | MEN1 (0.65) | MEN1KMT2ALMNAGAA | |
| SCHEMBL1286005 | 0.80 | MEN1 (0.65) | MEN1KMT2ALMNAGAA | |
| SCHEMBL1286007 | 0.80 | MEN1 (0.65) | MEN1KMT2ALMNAGAA | |
| SCHEMBL31521409 | 0.79 | MEN1 (0.52) | NR4A1NR4A2MEN1KMT2ALMNA | |
| SCHEMBL27304434 | 0.78 | PIK3CA (0.43) | CDC25BPIK3CA |
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-112424177-B | One-pot organic pseudo-catalytic C-H activation method for preparing vortioxetine and vortioxetine intermediate | VIO制药公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-112424177-A | One-pot organic pseudo-catalytic C-H activation method for preparing vortioxetine and vortioxetine intermediate | VIO制药公司 | 2021-02-26 | — | — | CN | disclosed |
| CN-112262121-A | Novel process for the preparation of tapentadol | 法尔玛赞公司 | 2021-01-22 | — | — | CN | disclosed |