Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 2/20 | 0.41 |
| ▸ | FNTB | P49356 | 2/20 | 0.41 |
| ▸ | KDM1A | O60341 | 3/20 | 0.36 |
| ▸ | NAMPT | P43490 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086993 | 0.85 | HDAC6 (0.49) | HDAC6SIGMAR1ALDH1A1MEN1TSHR | |
| SCHEMBL19086215 | 0.82 | HDAC6 (0.49) | HDAC6SIGMAR1ALDH1A1MEN1TSHR | |
| SCHEMBL2923721 | 0.82 | ESR2 (0.53) | HDAC6NAMPTESR2NR1H2BRD4 | |
| SCHEMBL3555661 | 0.74 | NOTUM (0.47) | HDAC6ALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL2921885 | 0.73 | MAPT (0.44) | HDAC6ALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL31486552 | 0.73 | HDAC1 (0.44) | NAMPTSMN1; SMN2ESR2NR1H2BRD4 | |
| SCHEMBL4815544 | 0.72 | ESR2 (0.53) | HDAC6ESR2NR1H2BRD4CREBBP | |
| SCHEMBL3441635 | 0.72 | HDAC6 (0.43) | HDAC6ALDH1A1MEN1KMT2AKDM1A | |
| SCHEMBL6230603 | 0.71 | NAMPT (0.59) | SIGMAR1ALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL19086019 | 0.71 | ALDH1A1 (0.41) | HDAC6ALDH1A1KDM1AL3MBTL1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017114275-A1 | COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME | 成都先导药物开发有限公司 | 2017-07-06 | — | — | WO | disclosed |