Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28112586 | 0.88 | EPHX2 (0.42) | EPHX2NPC1TP53SMN1; SMN2KDM4E | |
| Tert-Butyl Formate SCHEMBL28033058 | 0.77 | GAA (0.51) | NPC1SIRT2SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL28669892 | 0.76 | NPC1 (0.63) | EPHX2NPC1TP53SMN1; SMN2KDM4E | |
| Tert-Butyl Formate SCHEMBL28822399 | 0.76 | F10 (0.49) | EPHX2SIRT2KMT2A | |
| Tert-Butyl Formate SCHEMBL28033001 | 0.76 | FLT3 (0.49) | EPHX2NPC1SIRT2KMT2A | |
| Tert-Butyl Formate SCHEMBL28033419 | 0.75 | SMN1; SMN2 (0.53) | EPHX2NPC1SMN1; SMN2ALDH1A1HPGD | |
| Tert-Butyl Formate SCHEMBL27652277 | 0.74 | TDP1 (0.39) | EPHX2SIRT2SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL3181308 | 0.74 | PTPN2 (0.62) | EPHX2NPC1TP53KDM4EKMT2A | |
| Tert-Butyl Formate SCHEMBL27621070 | 0.74 | MEN1 (0.52) | ALDH1A1MEN1KMT2A | |
| Tert-Butyl Formate SCHEMBL28060423 | 0.73 | POLB (0.56) | EPHX2SMN1; SMN2KDM4EALDH1A1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458992-B | Pyridyl piperidine | 默克专利股份公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-106458992-A | Pyridyl piperidines | 默克专利股份公司 | 2017-02-22 | — | — | CN | disclosed |