Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 13/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 6/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11373396 | 0.92 | ADRB3 (0.42) | ADRB2ADRB3ADRB1HSD17B10KDM4E | |
| SCHEMBL11368373 | 0.90 | SLC6A4 (0.50) | ADRB2ADRB3ADRB1ADRA1ACYP2D6 | |
| SCHEMBL11375195 | 0.82 | ADRB2 (0.45) | ADRB2ADRB3ADRB1 | |
| SCHEMBL11571146 | 0.82 | ADRB2 (0.62) | ADRB2ADRB3CASP3CASP6ADRB1 | |
| SCHEMBL11670949 | 0.81 | ADRB2 (0.62) | ADRB2ADRB3CASP3CASP6ADRB1 | |
| SCHEMBL11670188 | 0.77 | ADRB3 (0.67) | ADRB2ADRB3ADRB1HSD17B10KDM4E | |
| SCHEMBL11572478 | 0.76 | ADRB2 (0.55) | ADRB2ADRB3ADRB1HSD17B10KDM4E | |
| SCHEMBL11365545 | 0.76 | ADRB3 (0.50) | ADRB2ADRB3ADRB1HSD17B10KDM4E | |
| SCHEMBL11560547 | 0.76 | ADRB1 (0.62) | ADRB2ADRB3ADRB1HSD17B10KDM4E | |
| SCHEMBL11573914 | 0.75 | ADRB2 (0.61) | ADRB2ADRB3ADRB1HSD17B10KDM4E |
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-4304790-A | 2-(Alkylthio, alkylsulfinyl or alkylsulfonyl)-4-[2-anilinoalkylamino)-1-hydroxyethyl]phenols and derivatives thereof | SCHERING CORPORATION (US) | 1981-12-08 | — | — | US | disclosed |