Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.71 |
| ▸ | TSHR | P16473 | 3/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.71 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.71 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.71 |
| ▸ | HTR2A | P28223 | 2/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.71 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.71 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.71 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.71 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.71 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.71 |
| ▸ | ESR1 | P03372 | 1/20 | 0.71 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.71 |
| ▸ | HTR1A | P08908 | 1/20 | 0.71 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.71 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.71 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL15960915 | 0.88 | ALDH1A1 (0.76) | SMN1; SMN2TSHRALDH1A1ADRA2BADRA2C | |
| SCHEMBL20909856 | 0.86 | ALDH1A1 (0.55) | SMN1; SMN2TSHRALDH1A1ADRA2BADRA2C | |
| SCHEMBL11682499 | 0.85 | TSHR (0.72) | SMN1; SMN2TSHRALDH1A1ADRA2BADRA2C | |
| SCHEMBL19479501 | 0.83 | BCHE (0.52) | SMN1; SMN2TSHRALDH1A1ADRA2BADRA2C | |
| Phenoxybenzamine SCHEMBL202823 | 0.83 | SMN1; SMN2 (1.00) | SMN1; SMN2TSHRALDH1A1ADRA2BADRA2C | |
| SCHEMBL11077715 | 0.83 | SMN1; SMN2 (0.74) | SMN1; SMN2TSHRALDH1A1ADRA2BADRA2C | |
| SCHEMBL19958436 | 0.83 | ALDH1A1 (0.74) | SMN1; SMN2TSHRALDH1A1ADRA2BADRA2C | |
| Phenoxybenzamine SCHEMBL5722 | 0.83 | SMN1; SMN2 (1.00) | SMN1; SMN2TSHRALDH1A1ADRA2BADRA2C | |
| SCHEMBL20910106 | 0.82 | TSHR (0.50) | SMN1; SMN2TSHRALDH1A1ADRA2BADRA2C | |
| Phenoxybenzamine SCHEMBL50729 | 0.82 | ALDH1A1 (1.00) | SMN1; SMN2TSHRALDH1A1ADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018130942-A1 | A PROCESS FOR THE PREPARATION OF PHENOXYBENZAMINE | AUROBINDO PHARMA LIMITED (IN) | 2018-07-19 | — | — | WO | disclosed |
| US-4041024-A | FOR POLYAMIDES AND POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-09 | — | — | US | disclosed |