Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | NR1H3 | Q13133 | 6/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11085249 | 0.90 | NR1H3 (0.51) | ALDH1A1MAPTGAAMAPK1POLB | |
| SCHEMBL5352402 | 0.86 | NR1H3 (0.59) | NR1H3KDM4E | |
| SCHEMBL5364718 | 0.86 | NR1H3 (0.59) | NR1H3KDM4E | |
| SCHEMBL10346703 | 0.84 | ALDH1A1 (0.63) | ALDH1A1MAPTGAAMAPK1POLB | |
| SCHEMBL9332372 | 0.83 | ALDH1A1 (0.66) | ALDH1A1MAPTGAAMAPK1POLB | |
| SCHEMBL4950622 | 0.82 | NR1H3 (0.53) | NR1H3 | |
| SCHEMBL10467322 | 0.82 | POLB (0.58) | ALDH1A1MAPTGAAMAPK1POLB | |
| SCHEMBL10713369 | 0.81 | MAOB (0.52) | ALDH1A1MAPTGAAMAPK1POLB | |
| SCHEMBL11552589 | 0.79 | ALDH1A1 (0.54) | ALDH1A1MAPTGAAMAPK1POLB | |
| SCHEMBL10364098 | 0.79 | POLB (0.55) | ALDH1A1MAPTGAAMAPK1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0426804-A1 | 2-(2-HYDROXY-3-PHENOXYPROPYLAMINO)-ETHOXYBENZENE DERIVATIVES. | ICI PLC (GB) | 1991-05-15 | — | — | EP | disclosed |
| WO-1990013535-A1 | COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-11-15 | — | — | WO | disclosed |