Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 3/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | BACE1 | P56817 | 3/20 | 0.45 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | CCR3 | P51677 | 5/20 | 0.43 |
| ▸ | HRH1 | P35367 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30172153 | 0.88 | ABCB11 (0.62) | ABCB11BCHEACHEBACE1CCR3 | |
| SCHEMBL3145540 | 0.87 | ABCB11 (0.61) | ABCB11BCHEACHEBACE1CCR3 | |
| SCHEMBL3145527 | 0.87 | ABCB11 (0.61) | ABCB11BCHEACHEBACE1CCR3 | |
| Trifluoroacetic Acid SCHEMBL3150378 | 0.84 | ABCB11 (0.57) | ABCB11BCHEACHEBACE1CCR3 | |
| SCHEMBL1950910 | 0.84 | ABCB11 (0.73) | ABCB11BCHEACHEBACE1CCR2 | |
| SCHEMBL1683051 | 0.84 | ABCB11 (0.73) | ABCB11BCHEACHEBACE1CCR2 | |
| SCHEMBL1950911 | 0.84 | ABCB11 (0.73) | ABCB11BCHEACHEBACE1CCR2 | |
| SCHEMBL1949177 | 0.84 | ABCB11 (0.73) | ABCB11BCHEACHEBACE1CCR2 | |
| SCHEMBL2016861 | 0.84 | ABCB11 (0.73) | ABCB11BCHEACHEBACE1CCR2 | |
| SCHEMBL30172129 | 0.84 | ABCB11 (0.73) | ABCB11BCHEACHEBACE1CCR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008104776-A1 | COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE | ASTRAZENECA AB (SE) | 2008-09-04 | — | — | WO | claimed |