Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1703763 | 0.98 | CA12 (0.33) | CA1CA2CA12CA14 | |
| SCHEMBL635121 | 0.91 | CA1 (0.37) | CA1CA2CA12CA14 | |
| SCHEMBL27815737 | 0.79 | CA12 (0.31) | CA1CA2CA12CA14 | |
| SCHEMBL4977195 | 0.77 | CA2 (0.37) | CA1CA2CA12CA14 | |
| SCHEMBL27835218 | 0.76 | CA12 (0.32) | CA1CA2CA12CA14 | |
| SCHEMBL27770454 | 0.76 | CETP (0.30) | — | |
| SCHEMBL28271505 | 0.76 | CA2 (0.39) | CA1CA2CA12CA14 | |
| SCHEMBL1705414 | 0.76 | — | — | |
| SCHEMBL8247178 | 0.73 | — | — | |
| SCHEMBL30407004 | 0.71 | TSHR (0.31) | — |
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-2440527-A1 | PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE | Topo Target A/S (DK) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010142735-A1 | PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE | TOPOTARGET A/S (DK) | 2010-12-16 | — | — | WO | disclosed |