Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 8/20 | 0.56 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL28079472 | 0.90 | POLB (0.44) | RORCKIF11MAPTLMNATP53 | |
| SCHEMBL28079605 | 0.87 | RORC (0.48) | RORCALDH1A1LMNATP53 | |
| SCHEMBL22570215 | 0.87 | RORC (0.48) | RORCALDH1A1LMNATP53 | |
| SCHEMBL28079469 | 0.86 | TP53 (0.46) | RORCKIF11ALDH1A1MAPTCCR5 | |
| SCHEMBL28079474 | 0.86 | MEN1 (0.46) | RORCKIF11ALDH1A1MAPTLMNA | |
| SCHEMBL28079354 | 0.84 | SIGMAR1 (0.49) | ALDH1A1MAPTLMNATP53 | |
| SCHEMBL28079480 | 0.81 | KMT2A (0.43) | ALDH1A1MAPT | |
| SCHEMBL28079479 | 0.80 | RORC (0.54) | RORCMAPTLMNATP53 | |
| SCHEMBL28079359 | 0.79 | RORC (0.52) | RORCTP53ACHEBACE1 | |
| SCHEMBL28079360 | 0.78 | RORC (0.53) | RORCALDH1A1MAPTLMNATP53 |
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 |