Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | MMP2 | P08253 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 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 | |
|---|---|---|---|---|
| SCHEMBL27797952 | 0.98 | THRB (0.42) | TP53CA12CA1CA2MMP2 | |
| SCHEMBL29028212 | 0.85 | TP53 (0.44) | TP53CA12CA1CA2MMP2 | |
| SCHEMBL29028213 | 0.85 | TP53 (0.44) | TP53CA12CA1CA2MMP2 | |
| SCHEMBL24724891 | 0.84 | DPP4 (0.47) | TP53CA12CA1CA2MMP2 | |
| SCHEMBL8283254 | 0.84 | DPP4 (0.47) | TP53CA12CA1CA2MMP2 | |
| SCHEMBL22143669 | 0.84 | DPP4 (0.47) | TP53CA12CA1CA2MMP2 | |
| SCHEMBL4570295 | 0.84 | DPP4 (0.47) | TP53CA12CA1CA2MMP2 | |
| SCHEMBL954821 | 0.84 | DPP4 (0.47) | TP53CA12CA1CA2MMP2 | |
| SCHEMBL2608454 | 0.84 | DPP4 (0.47) | TP53CA12CA1CA2MMP2 | |
| SCHEMBL13150839 | 0.83 | TP53 (0.43) | TP53CA12CA1CA2MMP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101878216-B | Pyrimidine derivatives as protein kinase inhibitors | CYCLACEL LTD | 2013-07-10 | — | — | CN | disclosed |
| CN-101878216-A | Pyrimidine derivatives as protein kinase inhibitors | CYCLACEL LTD | 2010-11-03 | — | — | CN | disclosed |