Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.64 |
| ▸ | MMP9 | P14780 | 1/20 | 0.64 |
| ▸ | MMP8 | P22894 | 1/20 | 0.64 |
| ▸ | MMP13 | P45452 | 1/20 | 0.64 |
| ▸ | AURKA | O14965 | 1/20 | 0.62 |
| ▸ | TBK1 | Q9UHD2 | 6/20 | 0.55 |
| ▸ | IKBKE | Q14164 | 5/20 | 0.55 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.54 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.49 |
| ▸ | DHODH | Q02127 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4059275 | 0.88 | AURKA (0.58) | MMP2MMP9MMP8MMP13AURKA | |
| SCHEMBL4148154 | 0.85 | AURKA (0.52) | MMP2MMP9MMP8MMP13AURKA | |
| SCHEMBL1667430 | 0.83 | AURKA (0.68) | AURKADYRK1BPTGDR2ALDH1A1KMT2A | |
| SCHEMBL4060567 | 0.80 | AURKA (0.68) | AURKAPTGDR2HDAC6ALDH1A1KDM4E | |
| SCHEMBL18764092 | 0.79 | HDAC6 (0.54) | AURKATBK1IKBKEHDAC6ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL4843990 | 0.78 | AURKA (0.56) | MMP2MMP9MMP8MMP13AURKA | |
| SCHEMBL4151626 | 0.77 | AURKA (0.43) | MMP2MMP9MMP8MMP13AURKA | |
| SCHEMBL4053079 | 0.77 | AURKA (0.67) | AURKATBK1IKBKEDYRK1BALDH1A1 | |
| SCHEMBL14022277 | 0.76 | PRMT5 (0.67) | AURKAALDH1A1KDM4EKMT2AHPGD | |
| SCHEMBL4054884 | 0.75 | AURKA (0.61) | AURKAPTGDR2HDAC6ALDH1A1KMT2A |
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-113544129-A | Tricyclic compound preparation method and application thereof in medicine field | 上海华汇拓医药科技有限公司 | 2021-10-22 | — | — | CN | disclosed |