Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.48 |
| ▸ | CA2 | P00918 | 6/20 | 0.48 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.41 |
| ▸ | DHFR | P00374 | 8/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13583145 | 0.81 | CA1 (0.55) | CA1CA2PIK3CGDHFRCA9 | |
| SCHEMBL480692 | 0.72 | CA1 (0.61) | CA1CA2DHFRCA9 | |
| SCHEMBL8813941 | 0.70 | PIK3CG (0.54) | PIK3CGDHFRPIK3CAPIK3CBHDAC6 | |
| SCHEMBL3755689 | 0.65 | NOS1 (0.42) | DHFR | |
| SCHEMBL13187327 | 0.65 | CA1 (1.00) | CA1CA2DHFRCA9 | |
| SCHEMBL8813951 | 0.65 | PIK3CG (0.72) | PIK3CGDHFRPIK3CAPIK3CBHDAC6 | |
| SCHEMBL3761058 | 0.64 | PIK3CG (0.53) | PIK3CGDHFRPIK3CAPIK3CBHDAC6 | |
| SCHEMBL479287 | 0.63 | HDAC4 (0.48) | CA1CA2PIK3CGDHFRCA9 | |
| SCHEMBL3763640 | 0.63 | NOS1 (0.68) | PIK3CGPIK3CA | |
| SCHEMBL4130539 | 0.62 | TSHR (0.58) | CA2CA9 |
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-2410856-A1 | DIAMINOPTERIDINE DERIVATIVES | Biorelix, Inc. (US) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010110907-A1 | DIAMINOPTERIDINE DERIVATIVES | BIORELIX, INC. (US) | 2010-09-30 | — | — | WO | disclosed |