Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9341796 | 0.81 | HSD11B1 (0.37) | HSD11B1OPRM1OPRD1GRIN1GRIN2A | |
| SCHEMBL9340020 | 0.80 | HSD11B1 (0.36) | ALDH1A1PDK2HSD11B1CYP3A4 | |
| SCHEMBL9344209 | 0.80 | TP53 (0.36) | TP53ALDH1A1PDK2TDP1L3MBTL1 | |
| SCHEMBL9340840 | 0.79 | TP53 (0.42) | TP53ALDH1A1PDK2CA1CA2 | |
| SCHEMBL9340819 | 0.78 | APP (0.40) | TP53ALDH1A1PDK2TDP1L3MBTL1 | |
| SCHEMBL9341846 | 0.78 | ALDH1A1 (0.36) | TP53ALDH1A1CA1CA2CA4 | |
| SCHEMBL6902549 | 0.69 | SIGMAR1 (0.43) | PDK2TDP1OPRM1OPRD1GRIN1 | |
| SCHEMBL30643150 | 0.69 | TDP2 (0.41) | CA1CA2CA4CA7CA9 | |
| SCHEMBL29143018 | 0.69 | TP53 (0.62) | TP53ALDH1A1L3MBTL1ADRA1AMAPT | |
| SCHEMBL30725601 | 0.69 | TP53 (0.62) | TP53ALDH1A1L3MBTL1ADRA1AMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5356915-A | Antihypertensive and bronchodilator agents | J. URIACH & CIA. S.A. (ES) | 1994-10-18 | — | — | US | disclosed |
| EP-0600147-A1 | Tetralones with pharmacological activity, compositions containing them and process for their preparation | J. URIACH & CIA. S.A. (ES) | 1994-06-08 | — | — | EP | disclosed |