Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11871480 | 0.94 | CES2 (0.57) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL30414806 | 0.84 | MEN1 (0.69) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL755443 | 0.84 | MEN1 (0.69) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL3177999 | 0.81 | CYP1A2 (0.58) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| Water SCHEMBL8063558 | 0.81 | MEN1 (0.66) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL27338829 | 0.80 | ALDH1A1 (0.56) | CES2CES1RAB9AMEN1KMT2A | |
| SCHEMBL28794375 | 0.80 | MEN1 (0.64) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL27364870 | 0.79 | CYP1A2 (0.60) | NPC1RAB9ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4823687 | 0.79 | CES2 (0.77) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL31414638 | 0.79 | CES2 (0.77) | CES2CES1NPC1RAB9AMEN1 |
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 |