Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11079631 | 0.90 | ESR1 (0.40) | ESR1CHRM3TSHRCYP2D6CYP2C9 | |
| SCHEMBL11087082 | 0.89 | ESR1 (0.40) | ESR1CHRM3TSHRCYP2D6CYP2C9 | |
| SCHEMBL2560818 | 0.77 | ESR1 (0.51) | ESR1CHRM3TSHRCYP2D6CYP2C9 | |
| SCHEMBL27754626 | 0.77 | ESR1 (0.51) | ESR1CHRM3TSHRCYP2D6CYP2C9 | |
| SCHEMBL158683 | 0.77 | ESR1 (0.51) | ESR1CHRM3TSHRCYP2D6CYP2C9 | |
| SCHEMBL8765579 | 0.75 | ESR1 (0.42) | ESR1TSHRCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1613047 | 0.73 | CNR1 (0.36) | ESR1CHRM3TSHRCYP2D6CYP2C9 | |
| SCHEMBL6873939 | 0.72 | CHRM3 (0.37) | ESR1CHRM3CHRM2ALDH1A1CHRM1 | |
| SCHEMBL11085392 | 0.72 | HTR2A (0.38) | ESR1CHRM3TSHRCYP2D6CYP2C9 | |
| SCHEMBL27275783 | 0.71 | ESR1 (0.47) | ESR1CHRM3TSHRCYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4467102-A | RACEMIC MODIFICATION WITH BRUCINE | UBE INDUSTRIES, LTD. (JP) | 1984-08-21 | — | — | US | disclosed |