Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 9/20 | 0.54 |
| ▸ | ESR1 | P03372 | 8/20 | 0.54 |
| ▸ | DGAT1 | O75907 | 8/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | PRKCI | P41743 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14062151 | 0.89 | DGAT1 (0.62) | ESR2ESR1DGAT1 | |
| SCHEMBL14062083 | 0.89 | DGAT1 (0.62) | ESR2ESR1DGAT1 | |
| SCHEMBL17565664 | 0.88 | DGAT1 (0.47) | ESR2ESR1DGAT1 | |
| SCHEMBL14137087 | 0.86 | DGAT1 (0.51) | ESR2ESR1DGAT1 | |
| SCHEMBL14061848 | 0.86 | DGAT1 (0.51) | ESR2ESR1DGAT1 | |
| SCHEMBL9587906 | 0.81 | DGAT1 (0.45) | DGAT1 | |
| SCHEMBL629696 | 0.79 | SMN1; SMN2 (0.58) | DGAT1 | |
| SCHEMBL3050076 | 0.79 | MAOA (0.50) | ESR2ESR1MAOAMAOBPRKCI | |
| SCHEMBL14061891 | 0.76 | DGAT1 (0.48) | ESR2ESR1DGAT1 | |
| SCHEMBL14137121 | 0.74 | DGAT1 (0.63) | DGAT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007000337-A1 | BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS | PALAU PHARMA, S.A. (ES) | 2007-01-04 | — | — | WO | disclosed |
| 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 |