Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | EDNRB | P24530 | 2/20 | 0.36 |
| ▸ | EDNRA | P25101 | 2/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9565096 | 0.88 | MAPK1 (0.39) | MAPK1CYP1A2CA1CA2CA4 | |
| SCHEMBL9588113 | 0.78 | IDO1 (0.41) | MAPK1CA1CA2CA7CA9 | |
| SCHEMBL9702389 | 0.72 | CA1 (0.41) | MAPK1CYP1A2CA1CA2CA4 | |
| SCHEMBL9588599 | 0.72 | CA1 (0.41) | MAPK1CYP1A2CA1CA2CA4 | |
| SCHEMBL9588129 | 0.72 | CA1 (0.38) | CA1CA2CA7CA9MALT1 | |
| SCHEMBL9587011 | 0.72 | HTT (0.38) | LMNAS100A4L3MBTL1CES1SMN1; SMN2 | |
| SCHEMBL9588923 | 0.70 | CA2 (0.46) | CYP1A2CA1CA2CA4CA7 | |
| SCHEMBL22797685 | 0.69 | MAPK1 (0.46) | MAPK1CYP1A2EDNRBEDNRAS100A4 | |
| SCHEMBL9586565 | 0.69 | TDP2 (0.37) | MAPK1CYP1A2CA1CA2CA4 | |
| SCHEMBL9588527 | 0.69 | TDP2 (0.35) | CA1CA2LMNACYP2C19AR |
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-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-0525768-A1 | Tetralones with pharmacological activity | J. URIACH & CIA. S.A. (ES) | 1993-02-03 | — | — | EP | disclosed |
| EP-0489300-A2 | Tetralones with pharmacological activity | J. URIACH & CIA. S.A. (ES) | 1992-06-10 | — | — | EP | disclosed |