Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9588381 | 0.79 | CA2 (0.42) | CA1CA2CA4CA7CA9 | |
| SCHEMBL1500055 | 0.66 | S100A4 (0.48) | CA1CA2CA4CA7CA9 | |
| SCHEMBL9565010 | 0.66 | CA1 (0.42) | CA1CA2CA4CA7CA9 | |
| SCHEMBL2525185 | 0.63 | PTPRC (0.52) | CA1CA2CA4CA7CA9 | |
| SCHEMBL23361906 | 0.63 | TDP2 (0.42) | CA1CA2CA4CA7CA9 | |
| SCHEMBL29922220 | 0.63 | CA1 (0.40) | CA1CA2CA4CA7CA9 | |
| SCHEMBL9587906 | 0.61 | DGAT1 (0.45) | TDP2METAP1 | |
| SCHEMBL12798321 | 0.61 | S100A4 (0.46) | CA1CA2CA4CA7CA9 | |
| SCHEMBL29514438 | 0.61 | PDK2 (0.41) | CA1CA2CA4CA7CA9 | |
| SCHEMBL1086094 | 0.61 | PDK2 (0.41) | CA1CA2CA4CA7CA9 |
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-5272170-A | Tetralones with pharmacological activity | J. URIACH & CIA., S.A. (ES) | 1993-12-21 | — | — | US | disclosed |
| US-5208246-A | Hypotensive, bronchodilator | J. URIACH & CIA. (ES) | 1993-05-04 | — | — | US | disclosed |
| EP-0489300-A2 | Tetralones with pharmacological activity | J. URIACH & CIA. S.A. (ES) | 1992-06-10 | — | — | EP | disclosed |