Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPOX | P50336 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9588336 | 0.79 | CA1 (0.42) | TGM2AKR1A1AKR1B1HTR2CPGR | |
| SCHEMBL9588381 | 0.79 | CA2 (0.42) | S100A4CES1HSP90AA1TGM2HTR2C | |
| SCHEMBL9587813 | 0.78 | CES1 (0.33) | CES1 | |
| SCHEMBL9586746 | 0.76 | CA9 (0.47) | METAP1CA1CA2CA4CA7 | |
| SCHEMBL4228062 | 0.73 | ALDH1A1 (0.42) | S100A4CES1HTR6CA1CA2 | |
| SCHEMBL23190235 | 0.73 | HTR2C (0.36) | HTR2C | |
| SCHEMBL9587759 | 0.72 | ABCC9 (0.44) | — | |
| SCHEMBL30748111 | 0.69 | HTR2C (0.38) | HTR2C | |
| SCHEMBL7646750 | 0.69 | S100A4 (0.48) | PPOXS100A4CES1HSP90AA1METAP1 | |
| SCHEMBL9565010 | 0.68 | CA1 (0.42) | S100A4CES1HSP90AA1TGM2HTR2C |
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 |