Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | F2 | P00734 | 3/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.40 |
| ▸ | SCN1A | P35498 | 2/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27403973 | 0.79 | CA1 (0.58) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL22068731 | 0.76 | CA2 (0.60) | CA2F2PRSS1PRSS2PRSS3 | |
| SCHEMBL4263471 | 0.76 | CA2 (0.55) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL6572028 | 0.75 | SLC1A3 (0.57) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL3245449 | 0.74 | CA1 (0.57) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL9732748 | 0.74 | CA1 (0.57) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL757927 | 0.74 | CA1 (0.57) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL8954779 | 0.73 | CA1 (0.51) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL9097795 | 0.73 | CA1 (0.55) | CA1CA2CA9F2PRSS1 | |
| SCHEMBL10880380 | 0.72 | CA2 (0.64) | CA1CA2CA9F2PRSS1 |
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-0442843-B1 | Inhibitors for the anticoagulant pretreatment of blood samples | PENTAPHARM AG (CH) | 1998-09-09 | — | — | EP | claimed |
| US-5187102-A | Treating blood sample with thrombin inhibitor which does not bind bivalent cations | PENTAPHARM AG (CH) | 1993-02-16 | — | — | US | disclosed |