Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CCR4 | P51679 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | ADK | P55263 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.38 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22570215 | 0.85 | RORC (0.48) | ALDH1A1 | |
| SCHEMBL28079605 | 0.85 | RORC (0.48) | ALDH1A1 | |
| SCHEMBL28079359 | 0.83 | RORC (0.52) | KMT2AHTTMEN1DRD4SIGMAR1 | |
| SCHEMBL28079469 | 0.82 | TP53 (0.46) | HTTKDM4EMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL28079360 | 0.82 | RORC (0.53) | KDM4EMAPTALDH1A1SLC6A12SIGMAR1 | |
| SCHEMBL28079474 | 0.82 | MEN1 (0.46) | KMT2APOLBMEN1MAPTALDH1A1 | |
| SCHEMBL28079511 | 0.81 | RORC (0.56) | MAPTALDH1A1 | |
| SCHEMBL28079354 | 0.81 | SIGMAR1 (0.49) | HTTKDM4EMAPTALDH1A1SIGMAR1 | |
| SCHEMBL28079472 | 0.81 | POLB (0.44) | POLBMAPT | |
| SCHEMBL28079479 | 0.81 | RORC (0.54) | MAPTSIGMAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105693598-A | Method for synthesis of 3-piperidone derivatives through iridium catalytic hydrogenation | 中国科学院大连化学物理研究所 | 2016-06-22 | — | — | CN | disclosed |