Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 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 | |
|---|---|---|---|---|
| SCHEMBL8865063 | 0.90 | CA12 (0.42) | IDO1CA12CA1CA2CA4 | |
| SCHEMBL4128246 | 0.83 | CA2 (0.50) | IDO1CA12CA1CA2CA4 | |
| SCHEMBL8957375 | 0.79 | ESR1 (0.45) | CA12CA1CA2CA4CA9 | |
| SCHEMBL7940753 | 0.78 | IDO1 (0.54) | IDO1CA12CA1CA2CA4 | |
| SCHEMBL13396373 | 0.76 | SLC7A5 (0.47) | — | |
| SCHEMBL8864691 | 0.74 | PTGS2 (0.40) | IDO1CA12CA1CA2CA4 | |
| SCHEMBL13242632 | 0.74 | PTPN7 (0.39) | CA12CA1CA2CA4CA9 | |
| SCHEMBL13242662 | 0.73 | BCL9 (0.44) | CA12CA1CA2CA4CA9 | |
| SCHEMBL220298 | 0.72 | ESR1 (0.57) | CA12CA1CA2CA4CA9 | |
| SCHEMBL7052847 | 0.71 | IDO1 (0.46) | IDO1CA2PTPN2PTPN1PTPN6 |
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 4 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 |
| US-5502237-A | VASODILATORS, ADRENERGIC BLOCKING AGENTS | PRODESFARMA, S. A. (ES) | 1996-03-26 | — | — | US | 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 |