Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | POLB | P06746 | 1/20 | 0.63 |
| ▸ | BCHE | P06276 | 4/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7694701 | 1.00 | ALDH1A1 (0.64) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8758147 | 0.94 | BCHE (0.71) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27299325 | 0.94 | ALDH1A1 (0.71) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9684147 | 0.92 | POLB (0.54) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9684151 | 0.92 | POLB (0.54) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7689571 | 0.89 | ALDH1A1 (0.63) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10346703 | 0.88 | ALDH1A1 (0.63) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27301728 | 0.86 | ALDH1A1 (0.66) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9330103 | 0.86 | ALDH1A1 (0.69) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7610975 | 0.85 | POLB (0.60) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002000622-A2 | AMINOALCOHOL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-01-03 | — | — | WO | disclosed |
| US-4999377-A | 2-(2-hydroxy-3-phenoxypropylamino)ethylphenoxyacetamide compounds; dietetics | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-03-12 | — | — | US | disclosed |
| CN-1034918-A | Chemical compound | ICI PLC (GB) | 1989-08-23 | — | — | CN | disclosed |