Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | KDM1A | O60341 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL19086993 | 0.89 | HDAC6 (0.49) | HDAC6ALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL1174301 | 0.84 | ADORA1 (0.57) | HDAC6ALDH1A1ADORA1HTTSMN1; SMN2 | |
| SCHEMBL19086224 | 0.82 | HDAC6 (0.42) | HDAC6ALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL19086220 | 0.82 | ADORA1 (0.53) | HDAC6ALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL7801200 | 0.81 | HDAC6 (0.70) | HDAC6ALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL976216 | 0.80 | HDAC6 (0.55) | HDAC6ALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL3441905 | 0.79 | HDAC6 (0.54) | HDAC6ALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL22490661 | 0.79 | HDAC6 (0.49) | HDAC6ALDH1A1MEN1KMT2AKDM1A | |
| SCHEMBL22490660 | 0.79 | HDAC6 (0.49) | HDAC6ALDH1A1KDM1ASMN1; SMN2KDM4E | |
| SCHEMBL19609145 | 0.77 | HDAC6 (0.47) | HDAC6ALDH1A1KMT2AKDM1AKDM4E |
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 |