Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | RORC | P51449 | 8/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | 0.90 | RORC (0.48) | LMNATP53RORCALDH1A1 | |
| SCHEMBL28079605 | 0.90 | RORC (0.48) | LMNATP53RORCALDH1A1 | |
| SCHEMBL28079472 | 0.88 | POLB (0.44) | LMNAPOLBTP53RORCMAPT | |
| SCHEMBL28079359 | 0.88 | RORC (0.52) | MEN1KMT2ATP53ACHEBACE1 | |
| SCHEMBL28079360 | 0.86 | RORC (0.53) | LMNATP53ACHEBACE1RORC | |
| SCHEMBL28079511 | 0.86 | RORC (0.56) | LMNATP53ACHEBACE1RORC | |
| SCHEMBL28079473 | 0.84 | BCHE (0.45) | KMT2ALMNAACHEBACE1MAPT | |
| SCHEMBL28079581 | 0.82 | HRH3 (0.48) | MEN1KMT2ATP53ALDH1A1 | |
| SCHEMBL28079355 | 0.82 | MEN1 (0.53) | MEN1KMT2ALMNAPOLBMAPT | |
| SCHEMBL28079480 | 0.82 | KMT2A (0.43) | MEN1KMT2APOLBMAPTALDH1A1 |
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 |