Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 3/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.42 |
| ▸ | CES1 | P23141 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.35 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6627600 | 0.98 | CES1 (0.39) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Biphenyl SCHEMBL27530952 | 0.88 | SMN1; SMN2 (0.53) | CES1CES2ELANEKMT2AHPGD | |
| Pyridine SCHEMBL27857276 | 0.88 | KMT2A (0.37) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL18787369 | 0.82 | FBP1 (0.33) | TSHR | |
| SCHEMBL28170615 | 0.80 | CES2 (0.48) | CES1CES2KMT2AL3MBTL1TSHR | |
| SCHEMBL27597639 | 0.78 | EGLN1 (0.45) | KMT2AHPGDSMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL2301974 | 0.77 | — | — | |
| SCHEMBL26030435 | 0.73 | FBP1 (0.33) | — | |
| SCHEMBL25092737 | 0.73 | CA1 (0.43) | SMN1; SMN2 | |
| SCHEMBL27582678 | 0.71 | CAMK2A (0.40) | MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1070852-C | Process for preparing 14-0-acylate of aconite alkaloid type compounds | SANWA SHOYAKU K K (JP) | 2001-09-12 | — | — | CN | disclosed |
| CN-1068327-A | The method for making of aconitine type compound 14-O-acidylate body | SANWA SHOYAKU K K (JP) | 1993-01-27 | — | — | CN | disclosed |