Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.46 |
| ▸ | CDC7 | O00311 | 8/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 3/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.41 |
| ▸ | PRKCB | P05771 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5217185 | 0.83 | CDC7 (0.46) | BCAT2MAP2K1CLK4DYRK1BCDC7 | |
| SCHEMBL1758364 | 0.83 | IKBKB (0.47) | BCAT2MAP2K1CLK4DYRK1BCDC7 | |
| SCHEMBL27890738 | 0.81 | KDM4E (0.46) | BCAT2MAP2K1CLK4DYRK1BCDC7 | |
| SCHEMBL30096560 | 0.80 | IKBKB (0.46) | BCAT2MAP2K1CLK4DYRK1BCDC7 | |
| SCHEMBL21626163 | 0.79 | MAP2K1 (0.43) | BCAT2MAP2K1CLK4DYRK1BCDC7 | |
| SCHEMBL29916420 | 0.79 | KDM4E (0.55) | BCAT2MAP2K1CLK4DYRK1BKDM4E | |
| SCHEMBL945856 | 0.79 | KDM4E (0.55) | BCAT2MAP2K1CLK4DYRK1BKDM4E | |
| SCHEMBL27872332 | 0.76 | MAP2K1 (0.41) | BCAT2MAP2K1CLK4DYRK1BCDC7 | |
| SCHEMBL21626162 | 0.76 | MAP2K1 (0.43) | BCAT2MAP2K1CLK4DYRK1BCDC7 | |
| SCHEMBL28941125 | 0.75 | MAP2K1 (0.40) | BCAT2MAP2K1CLK4DYRK1BCDC7 |
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-1366016-A2 | PROCESS FOR THE PREPARATION OF ARYLETHANOLDIAMINES USEFUL AS AGONISTS OF THE BETA-3-ADRENOCEPTOR | GLAXO GROUP LIMITED (GB) | 2003-12-03 | — | — | EP | disclosed |
| WO-2002066418-A2 | PROCESS FOR THE PREPARATION OF ARYLETHANOLDIAMINES USEFUL AS AGONISTS OF THE BETA-3-ADRENOCEPTOR | GLAXO GROUP LIMITED (GB) | 2002-08-29 | — | — | WO | disclosed |