Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 5/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 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 | |
|---|---|---|---|---|
| SCHEMBL22570215 | 0.88 | RORC (0.48) | TP53MDM2ALDH1A1GAATSHR | |
| SCHEMBL28079605 | 0.88 | RORC (0.48) | TP53MDM2ALDH1A1GAATSHR | |
| SCHEMBL28079511 | 0.86 | RORC (0.56) | TP53KIF11ALDH1A1RORCCCR5 | |
| SCHEMBL28079359 | 0.85 | RORC (0.52) | TP53MDM2SIGMAR1HTTRORC | |
| SCHEMBL28079354 | 0.83 | SIGMAR1 (0.49) | TP53SIGMAR1KDM4EALDH1A1HTT | |
| SCHEMBL28079480 | 0.82 | KMT2A (0.43) | SIGMAR1KDM4EALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL28079479 | 0.81 | RORC (0.54) | TP53SIGMAR1RORCMAPTL3MBTL1 | |
| SCHEMBL28079472 | 0.81 | POLB (0.44) | TP53KIF11RORCMAPT | |
| SCHEMBL28079360 | 0.79 | RORC (0.53) | TP53SIGMAR1KDM4EALDH1A1RORC | |
| SCHEMBL28079474 | 0.79 | MEN1 (0.46) | TP53KIF11ALDH1A1RORCMAPT |
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 |