Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.47 |
| ▸ | CA2 | P00918 | 10/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8003356 | 0.93 | CA2 (0.48) | CA1CA2CA12CA9CA7 | |
| SCHEMBL7398526 | 0.82 | CA12 (0.59) | CA1CA2CA12CA9CA7 | |
| SCHEMBL14524170 | 0.81 | CA1 (0.42) | CA1CA2CA12CA9TDP1 | |
| SCHEMBL21221559 | 0.81 | CYP4A11 (0.57) | CA1CA2GAATDP1SIGMAR1 | |
| SCHEMBL5961112 | 0.80 | CA12 (0.42) | CA1CA2MTNR1AMTNR1BCA12 | |
| SCHEMBL6422546 | 0.79 | PPARA (0.43) | CA1CA2MTNR1AMTNR1BCA12 | |
| SCHEMBL31747308 | 0.79 | CYP4F2 (0.60) | MTNR1AMTNR1BNQO2SIGMAR1MEN1 | |
| SCHEMBL5725025 | 0.79 | CYP4F2 (0.60) | MTNR1AMTNR1BNQO2SIGMAR1MEN1 | |
| SCHEMBL22996206 | 0.79 | CA1 (0.54) | CA1CA2CA12CA9GAA | |
| SCHEMBL7465537 | 0.79 | ESRRG (0.58) | CA1CA2CA12CA9GAA |
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-1817287-A1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | Eli Lilly and Company (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006057845-A1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | ELI LILLY AND COMPANY (US) | 2006-06-01 | — | — | WO | disclosed |