Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GSR | P00390 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8865074 | 0.82 | ESR1 (0.38) | TAAR1SLC6A2IDO1ESR1ESR2 | |
| SCHEMBL22853745 | 0.80 | TAAR1 (0.50) | TAAR1SLC6A2IDO1ESR1ESR2 | |
| SCHEMBL274767 | 0.80 | TAAR1 (0.50) | TAAR1SLC6A2IDO1ESR1ESR2 | |
| SCHEMBL8968738 | 0.74 | TAAR1 (0.45) | TAAR1SLC6A2IDO1ESR1ESR2 | |
| SCHEMBL14285713 | 0.73 | CYP1A2 (0.52) | TAAR1SLC6A2IDO1ESR1ESR2 | |
| SCHEMBL28029267 | 0.73 | TAAR1 (0.44) | TAAR1SLC6A2IDO1ESR1ESR2 | |
| SCHEMBL4128246 | 0.72 | CA2 (0.50) | IDO1ESR1ESR2MEN1KMT2A | |
| SCHEMBL11979782 | 0.72 | TAAR1 (0.50) | TAAR1SLC6A2IDO1ESR1ESR2 | |
| SCHEMBL274510 | 0.72 | CALM1 (0.43) | TAAR1SLC6A2IDO1ESR1ESR2 | |
| SCHEMBL8864691 | 0.69 | PTGS2 (0.40) | IDO1MEN1KMT2AGSRCA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5639904-A | CARDIOVASCULAR DISORDERS | PRODESFARMA, S.A. (ES) | 1997-06-17 | — | — | US | disclosed |
| EP-0637583-B1 | 1-Aryloxy-3-alkylamino-2-propanol nitrate esters, the use thereof and corresponding pharmaceutical composition | PRODESFARMA SA (ES) | 1996-12-18 | — | — | EP | disclosed |
| EP-0637583-A1 | 1-Aryloxy-3-alkylamino-2-propanol nitrate esters, the use thereof and corresponding pharmaceutical composition | PRODESFARMA, S.A. (ES) | 1995-02-08 | — | — | EP | disclosed |