Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.55 |
| ▸ | CA2 | P00918 | 6/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6595288 | 0.79 | MEN1 (0.64) | CA1CA2MEN1KMT2AALDH1A1 | |
| SCHEMBL3133953 | 0.74 | CA1 (0.75) | CA1CA2ALDH1A1SIGMAR1GBA1 | |
| SCHEMBL6320964 | 0.71 | CA1 (0.71) | CA1CA2ALDH1A1SIGMAR1GBA1 | |
| SCHEMBL4021825 | 0.69 | GBA1 (0.69) | CA1CA2MEN1KMT2AALDH1A1 | |
| SCHEMBL3126117 | 0.68 | ALDH1A1 (0.75) | CA1CA2MEN1KMT2AALDH1A1 | |
| SCHEMBL1269485 | 0.68 | ALDH1A1 (0.68) | CA1CA2ALDH1A1SIGMAR1MMP1 | |
| SCHEMBL27166930 | 0.67 | GBA1 (0.56) | CA1CA2MEN1KMT2AALDH1A1 | |
| SCHEMBL19264902 | 0.66 | CA1 (0.58) | CA1CA2MEN1KMT2AALDH1A1 | |
| SCHEMBL6595788 | 0.66 | MAPK1 (0.71) | CA1CA2MEN1KMT2AALDH1A1 | |
| SCHEMBL6599234 | 0.65 | CA1 (0.68) | CA1CA2MEN1KMT2AALDH1A1 |
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-1649863-A | 4- (imidazol-5-yl) -2- (4-sulfoanilino) pyrimidine derivatives having CDK inhibitory activity | ASTRAZENECA AB (SE) | 2005-08-03 | — | — | CN | disclosed |