Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.38 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4236119 | 0.81 | ADRB1 (0.52) | ADRB2ADRB1ADRB3ALDH1A1LMNA | |
| SCHEMBL21775493 | 0.81 | KMT2A (0.41) | PPARGPPARAADRB2ADRB1ADRB3 | |
| SCHEMBL9484088 | 0.80 | LMNA (0.53) | ADRB2ADRB1POLBLMNACYP1A2 | |
| SCHEMBL10345923 | 0.79 | LMNA (0.41) | ADRB2ADRB1ADRB3POLBALDH1A1 | |
| SCHEMBL20553256 | 0.78 | ADRB2 (0.57) | ADRB2ADRB1ADRB3POLBALDH1A1 | |
| SCHEMBL20553417 | 0.78 | MTNR1A (0.35) | ADRB2ADRB1ADRB3LTA4H | |
| SCHEMBL11130584 | 0.77 | LMNA (0.52) | PPARGPPARALTA4HLMNACYP1A2 | |
| SCHEMBL5245670 | 0.76 | ADRB1 (0.39) | ADRB2ADRB1ADRB3LMNACYP1A2 | |
| SCHEMBL21775539 | 0.75 | AOC3 (0.39) | ADRB2ADRB1ADRB3ALDH1A1GAA | |
| SCHEMBL6222183 | 0.75 | CARM1 (0.38) | ADRB2ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2566472-A1 | A PHARMACEUTICAL COMPOSITION COMPRISING ASPIRIN AND BISOPROLOL | CAL INTERNATIONAL LIMITED (IE) | 2013-03-13 | — | — | EP | disclosed |
| WO-2011138772-A1 | A PHARMACEUTICAL COMPOSITION COMPRISING ASPIRIN AND BISOPROLOL | CAL INTERNATIONAL LIMITED (IE) | 2011-11-10 | — | — | WO | disclosed |