Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2154019 | 0.90 | GLA (0.53) | ALDH1A1GLACYP19A1CYP11B1CYP11B2 | |
| SCHEMBL28747370 | 0.87 | CLK4 (0.46) | CLK4ADRA2CGABRG2GABRB3GABRA5 | |
| SCHEMBL6950852 | 0.84 | TSHR (0.52) | ALDH1A1GLACYP19A1CYP11B1CYP11B2 | |
| SCHEMBL2154026 | 0.83 | CLK4 (0.65) | CLK4ADRA2CGABRG2GABRB3GABRA5 | |
| SCHEMBL13266542 | 0.83 | GABRG2 (0.49) | CLK4ADRA2CGABRG2GABRB3GABRA5 | |
| SCHEMBL1997372 | 0.83 | CLK4 (0.49) | CLK4ADRA2CGABRG2GABRB3GABRA5 | |
| SCHEMBL20946379 | 0.83 | LOXL2 (0.53) | CLK4ADRA2CGABRG2GABRB3GABRA5 | |
| SCHEMBL688074 | 0.83 | PRKCI (0.53) | CLK4ADRA2CGABRG2GABRB3GABRA5 | |
| SCHEMBL3799636 | 0.82 | TSHR (0.53) | CLK4ADRA2CGABRG2GABRB3GABRA5 | |
| SCHEMBL28865565 | 0.82 | HTR2B (0.50) | ALDH1A1GLACYP19A1CYP11B1CYP11B2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214291-A1 | BIPHENYL DERIVATIVES USED AS NHE-3 INHIBITORS | MERCK PATENT GmbH (DE) | 2002-06-19 | — | — | EP | disclosed |
| US-6380430-B1 | ANTICOAGULANTS | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTERHAFTUNG (DE) | 2002-04-30 | — | — | US | disclosed |
| WO-2001021582-A1 | BIPHENYL DERIVATIVES USED AS NHE-3 INHIBITORS | MERCK PATENT GMBH (DE) | 2001-03-29 | — | — | WO | disclosed |
| EP-1076643-A1 | BIPHENYL DERIVATIVES | MERCK PATENT GmbH (DE) | 2001-02-21 | — | — | EP | disclosed |
| WO-1999057096-A1 | BIPHENYL DERIVATIVES | MERCK PATENT GMBH (DE) | 1999-11-11 | — | — | WO | disclosed |