Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.67 |
| ▸ | CA2 | P00918 | 2/20 | 0.67 |
| ▸ | CA7 | P43166 | 2/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 10/20 | 0.45 |
| ▸ | CTSS | P25774 | 4/20 | 0.45 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSB | P07858 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3370592 | 1.00 | CA1 (0.67) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL18138345 | 0.88 | CA1 (0.56) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL14923494 | 0.88 | CA1 (0.56) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL89892 | 0.86 | CA1 (0.63) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL90687 | 0.86 | CA1 (0.63) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL23924815 | 0.86 | CA1 (0.63) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL12396265 | 0.86 | CA1 (0.67) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL903675 | 0.83 | CA1 (0.43) | CA1CA2CA7CA4CA9 | |
| SCHEMBL15371473 | 0.81 | CA1 (0.51) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL1414602 | 0.81 | CA1 (0.71) | CA1CA2CA7CYP2D6CA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5948778-A | Difluoro statone antiviral analogs | MERREL PHARMACEUTICALS INC. (US) | 1999-09-07 | — | — | US | disclosed |
| EP-0773926-A1 | DIFLUOROSTATONE ANTIVIRAL AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-05-21 | — | — | EP | disclosed |
| WO-1996002499-A1 | DIFLUOROSTATONE ANTIVIRAL AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1996-02-01 | — | — | WO | disclosed |