Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | 0.83 | RORC (0.48) | ALDH1A1LMNA | |
| SCHEMBL28079605 | 0.83 | RORC (0.48) | ALDH1A1LMNA | |
| SCHEMBL28079474 | 0.82 | MEN1 (0.46) | MEN1KMT2AALDH1A1MAPTPOLB | |
| SCHEMBL28079359 | 0.80 | RORC (0.52) | MEN1KMT2A | |
| SCHEMBL28079360 | 0.79 | RORC (0.53) | ALDH1A1MAPTLMNAKDM4E | |
| SCHEMBL28079581 | 0.78 | HRH3 (0.48) | MEN1KMT2AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL28079473 | 0.77 | BCHE (0.45) | KMT2AALDH1A1MAPTLMNAKDM4E | |
| SCHEMBL28079354 | 0.76 | SIGMAR1 (0.49) | ALDH1A1MAPTLMNAKDM4E | |
| SCHEMBL28079472 | 0.76 | POLB (0.44) | MAPTPOLBLMNA | |
| SCHEMBL28079480 | 0.75 | KMT2A (0.43) | MEN1KMT2AALDH1A1MAPTSMN1; SMN2 |
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 |