Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | GLA | P06280 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8623175 | 0.78 | MAOA (0.57) | CYP3A4ALDH1A1GLATP53TSHR | |
| SCHEMBL729501 | 0.78 | ALDH1A1 (0.65) | CYP3A4ALDH1A1GLATP53TSHR | |
| SCHEMBL6309685 | 0.78 | ALDH1A1 (0.53) | CYP2A6CYP3A4KCNA3ALDH1A1GLA | |
| SCHEMBL6309690 | 0.78 | ALDH1A1 (0.53) | CYP2A6CYP3A4KCNA3ALDH1A1GLA | |
| SCHEMBL7966131 | 0.78 | ALDH1A1 (0.53) | CYP2A6CYP3A4KCNA3ALDH1A1GLA | |
| SCHEMBL11036109 | 0.77 | CYP2A6 (1.00) | CYP2A6CYP3A4KCNA3ALDH1A1GLA | |
| SCHEMBL5432111 | 0.77 | ALDH1A1 (0.56) | CYP2A6CYP3A4ALDH1A1GLATP53 | |
| SCHEMBL6317536 | 0.77 | ALDH1A1 (0.56) | CYP2A6CYP3A4ALDH1A1GLATP53 | |
| SCHEMBL13007252 | 0.77 | MCL1 (0.53) | CYP3A4ALDH1A1GLAALOX15TP53 | |
| SCHEMBL13061433 | 0.77 | MCL1 (0.53) | CYP3A4ALDH1A1GLAALOX15TP53 |
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-5254595-A | Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them | ELF SANOFI (FR) | 1993-10-19 | — | — | US | disclosed |
| EP-0375560-B1 | ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | ELF SANOFI (FR) | 1993-05-12 | — | — | EP | disclosed |
| EP-0375560-A1 | Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same | ELF SANOFI (FR) | 1990-06-27 | — | — | EP | disclosed |