Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.45 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.43 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL613545 | 0.93 | CA12 (0.53) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL29410763 | 0.93 | CA12 (0.53) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL8457822 | 0.90 | CA12 (0.54) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL15360324 | 0.86 | BCHE (0.51) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL31539418 | 0.82 | KMT2A (0.58) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL613521 | 0.82 | KMT2A (0.58) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL17687929 | 0.82 | CA12 (0.49) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL91150 | 0.82 | CA12 (0.56) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL4080429 | 0.81 | MRGPRX4 (0.46) | MTNR1AMTNR1BALDH1A1POLBCYP1A2 | |
| SCHEMBL24061179 | 0.81 | CA1 (0.55) | CA12CA1CA2CA9PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1087943-B1 | THERAPEUTIC BIARYL DERIVATIVES | GLAXO GROUP LTD (GB) | 2005-08-17 | — | — | EP | disclosed |
| US-6251925-B1 | AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR | GLAXO WELLCOME INC. | 2001-06-26 | — | — | US | disclosed |
| EP-1087943-A1 | THERAPEUTIC BIARYL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2001-04-04 | — | — | EP | disclosed |
| WO-1999065877-A1 | THERAPEUTIC BIARYL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1999-12-23 | — | — | WO | disclosed |