Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 14/20 | 0.39 |
| ▸ | CA1 | P00915 | 11/20 | 0.39 |
| ▸ | CA12 | O43570 | 10/20 | 0.39 |
| ▸ | CA9 | Q16790 | 10/20 | 0.39 |
| ▸ | CA7 | P43166 | 8/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 7/20 | 0.39 |
| ▸ | CA4 | P22748 | 6/20 | 0.39 |
| ▸ | CA6 | P23280 | 6/20 | 0.39 |
| ▸ | CA5A | P35218 | 6/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 6/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10954398 | 0.85 | CA2 (0.42) | CA2CA1CA12CA9CA7 | |
| SCHEMBL28269692 | 0.79 | CA2 (0.38) | CA2CA1CA12CA9CA7 | |
| SCHEMBL28612610 | 0.78 | CA1 (0.46) | CA2CA1CA12CA9CA7 | |
| SCHEMBL4788421 | 0.76 | CA2 (0.55) | CA2CA1CA12CA9CA7 | |
| SCHEMBL24620497 | 0.75 | NOS3 (0.35) | KDM4EALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL28839050 | 0.75 | CA2 (0.37) | CA2CA1CA12CA9CA7 | |
| SCHEMBL18209561 | 0.74 | PTGES2 (0.44) | CA2CA1CA12CA9CA7 | |
| SCHEMBL414559 | 0.74 | CA2 (0.43) | CA2CA1CA12CA9CA7 | |
| SCHEMBL7705793 | 0.73 | PDIA6 (0.42) | CA2CA1CA12CA9CA7 | |
| SCHEMBL20226656 | 0.73 | GAA (0.39) | CA2CA1CA12CA9CA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105143206-A | Pyrimidine-2,4-diamine derivatives for treatment of cancer | THOMAS HELLEDAYS STIFTELSE F R MEDICINSK FORSKNING | 2015-12-09 | — | — | CN | disclosed |