Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.30 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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) | CA1CA2CA7CA9MALT1 | |
| SCHEMBL9587106 | 0.79 | PPOX (0.40) | CA1CA2CA7CA9PGR | |
| SCHEMBL9587759 | 0.76 | ABCC9 (0.44) | — | |
| SCHEMBL4228062 | 0.73 | ALDH1A1 (0.42) | CA1CA2CA7CA9ACHE | |
| SCHEMBL9587813 | 0.70 | CES1 (0.33) | — | |
| SCHEMBL2896364 | 0.69 | CA1 (0.45) | CA1CA2CA7CA9AKR1B1 | |
| SCHEMBL9565010 | 0.68 | CA1 (0.42) | CA1CA2CA7CA9MALT1 | |
| SCHEMBL2525379 | 0.66 | PTPRC (0.52) | CA1CA2CA7CA9AKR1B1 | |
| SCHEMBL30205899 | 0.63 | CA1 (0.36) | CA1CA2CA7CA9AKR1B1 | |
| SCHEMBL6024450 | 0.62 | HTR2C (0.54) | CA1CA7CA9HTR2CALDH1A1 |
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 |