Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL28021426 | 0.86 | ALDH1A1 (0.41) | ALDH1A1HTR2CCES2CES1SLC6A2 | |
| Piperidine SCHEMBL28021401 | 0.80 | ALDH1A1 (0.45) | ALDH1A1HTR2CSLC6A2SLC6A4SLC6A3 | |
| Piperidine SCHEMBL28021466 | 0.80 | ALDH1A1 (0.45) | ALDH1A1LMNACXCR4SMN1; SMN2 | |
| Piperidine SCHEMBL28021838 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CXCR4SMN1; SMN2CHRNB2CHRNB4 | |
| Piperidine SCHEMBL28021843 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HTR2AHTR2CHTR2BSLC6A2 | |
| Piperidine SCHEMBL28021397 | 0.78 | KDM4E (0.38) | ALDH1A1SMN1; SMN2SLC6A2SLC6A4SLC6A3 | |
| Piperidine SCHEMBL28820695 | 0.76 | ALDH1A1 (0.41) | ALDH1A1CES2CES1 | |
| Piperidine SCHEMBL28021852 | 0.74 | ALDH1A1 (0.50) | ALDH1A1CES2CES1CXCR4SMN1; SMN2 | |
| Piperidine SCHEMBL2421405 | 0.71 | — | — | |
| Methane SCHEMBL15532820 | 0.71 | ALDH1A1 (0.90) | ALDH1A1CXCR4SMN1; 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-104744613-A | Half-metallocene catalyst containing fluorobenzene amidine, preparation method and application thereof | SUZHOU APAC BIOLOG SCIENCE & TECHNOLOGY CO LTD | 2015-07-01 | — | — | CN | claimed |