Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.47 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 3/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16946799 | 0.98 | CA1 (0.59) | CA12CA1CA2CA4CA7 | |
| Methylamine SCHEMBL7433365 | 0.94 | CA12 (0.54) | CA12CA1CA2CA4CA7 | |
| SCHEMBL29340231 | 0.89 | CA12 (0.54) | CA12CA1CA2CA4CA7 | |
| SCHEMBL5084709 | 0.89 | CA12 (0.54) | CA12CA1CA2CA4CA7 | |
| SCHEMBL27647561 | 0.88 | CA12 (0.48) | CA12CA1CA2CA4CA7 | |
| SCHEMBL24806043 | 0.88 | PDE4A (0.53) | CA12CA1CA2CA4CA7 | |
| SCHEMBL28418035 | 0.86 | HTR1A (0.50) | SLC6A2SLC6A4HTR1AADRA2AADRA2B | |
| SCHEMBL2093016 | 0.84 | CA12 (0.48) | CA12CA1CA2CA4CA7 | |
| SCHEMBL1780546 | 0.84 | HRH1 (0.62) | CA12CA1CA2CA4CA7 | |
| SCHEMBL19374778 | 0.83 | SMN1; SMN2 (0.52) | CA12CA1CA2CA4CA7 |
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-4626549-A | Treatment of obesity with aryloxyphenylpropylamines | ELI LILLY AND COMPANY (US) | 1986-12-02 | — | — | US | disclosed |
| US-4194009-A | ANTIDEPRESSANT | ELI LILLY AND COMPANY (US) | 1980-03-18 | — | — | US | disclosed |
| US-4018895-A | Aryloxyphenylpropylamines in treating depression | ELI LILLY AND COMPANY (US) | 1977-04-19 | — | — | US | disclosed |