Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.51 |
| ▸ | CTSG | P08311 | 2/20 | 0.51 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.51 |
| ▸ | CMA1 | P23946 | 2/20 | 0.51 |
| ▸ | TLR2 | O60603 | 2/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.48 |
| ▸ | HPGDS | O60760 | 1/20 | 0.47 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.47 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.46 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.46 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Octadecylamine SCHEMBL7750304 | 0.94 | CA2 (0.58) | SLC6A5CA2PRSS1CTSGCTRB1 | |
| SCHEMBL29036089 | 0.88 | CA2 (0.61) | CA2PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL7759090 | 0.88 | CA2 (0.61) | CA2PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL607886 | 0.86 | ITGB3 (0.60) | CA2ITGB3ITGA2BCA1CA12 | |
| SCHEMBL607885 | 0.86 | ITGB3 (0.60) | CA2ITGB3ITGA2BCA1CA12 | |
| SCHEMBL24064866 | 0.86 | CA2 (0.63) | CA2PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL11519163 | 0.84 | CA2 (0.60) | CA2CA1C3AR1 | |
| SCHEMBL7913352 | 0.83 | CA2 (0.60) | CA2PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL1980652 | 0.82 | ITGB3 (0.57) | CA2ITGB3ITGA2BCA1CA12 | |
| SCHEMBL1980150 | 0.82 | ITGB3 (0.57) | CA2ITGB3ITGA2BCA1CA12 |
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-1073475-A2 | IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS | NYCOMED IMAGING AS (NO) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999055383-A2 | IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS | NYCOMED IMAGING AS (NO) | 1999-11-04 | — | — | WO | disclosed |