Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 19/20 | 0.83 |
| ▸ | CA2 | P00918 | 19/20 | 0.83 |
| ▸ | CA9 | Q16790 | 14/20 | 0.83 |
| ▸ | CA4 | P22748 | 13/20 | 0.83 |
| ▸ | CA12 | O43570 | 11/20 | 0.83 |
| ▸ | CA14 | Q9ULX7 | 11/20 | 0.83 |
| ▸ | CA3 | P07451 | 9/20 | 0.83 |
| ▸ | CA6 | P23280 | 9/20 | 0.83 |
| ▸ | CA5A | P35218 | 9/20 | 0.83 |
| ▸ | CA7 | P43166 | 9/20 | 0.83 |
| ▸ | CA13 | Q8N1Q1 | 9/20 | 0.83 |
| ▸ | CA5B | Q9Y2D0 | 9/20 | 0.83 |
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 | |
|---|---|---|---|---|
| SCHEMBL19359108 | 0.93 | CA2 (0.97) | CA1CA2CA9CA4CA12 | |
| SCHEMBL19359120 | 0.88 | CA2 (0.77) | CA1CA2CA9CA4CA12 | |
| SCHEMBL27277706 | 0.88 | CA1 (0.73) | CA1CA2CA9CA4CA12 | |
| SCHEMBL27277713 | 0.87 | CA1 (0.71) | CA1CA2CA9CA4CA12 | |
| SCHEMBL30721294 | 0.85 | CA1 (0.76) | CA1CA2CA9CA4CA12 | |
| SCHEMBL27344529 | 0.83 | CA1 (0.70) | CA1CA2CA9CA4CA12 | |
| SCHEMBL22118542 | 0.81 | CA1 (0.80) | CA1CA2CA9CA4CA12 | |
| SCHEMBL26259445 | 0.78 | CA1 (1.00) | CA1CA2CA9CA4CA12 | |
| SCHEMBL19382591 | 0.77 | KMT2A (0.56) | CA1CA2CA9CA4CA12 | |
| SCHEMBL19370519 | 0.76 | CA1 (0.61) | CA1CA2CA9CA4CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017161195-A1 | CA IX-TARGET NIR DYES AND THEIR USES | On Target Laboratories, LLC (US) | 2017-09-21 | — | — | WO | disclosed |
| WO-2017161195-A1 | CA IX-TARGET NIR DYES AND THEIR USES | On Target Laboratories, LLC (US) | 2017-09-21 | — | — | WO | disclosed |