Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 3/20 | 0.42 |
| ▸ | 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 |
| ▸ | PRMT5 | O14744 | 4/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 4/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.39 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.39 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086215 | 0.89 | HDAC6 (0.49) | HDAC6SIGMAR1KDM1AALDH1A1MEN1 | |
| SCHEMBL19086224 | 0.85 | HDAC6 (0.42) | HDAC6SIGMAR1KDM1AALDH1A1MEN1 | |
| SCHEMBL743782 | 0.82 | HDAC6 (0.54) | HDAC6ALDH1A1PRMT5WDR77F2 | |
| SCHEMBL16329785 | 0.81 | DRD2 (0.45) | HDAC6KDM1AKMT2APRMT5WDR77 | |
| SCHEMBL29341231 | 0.81 | HDAC6 (0.47) | HDAC6KDM1AALDH1A1PRMT5WDR77 | |
| SCHEMBL19086988 | 0.80 | ADORA1 (0.46) | HDAC6ALDH1A1KMT2APRMT5WDR77 | |
| SCHEMBL978284 | 0.76 | HDAC6 (0.59) | HDAC6PRMT5WDR77 | |
| SCHEMBL8558763 | 0.76 | ALDH1A1 (0.50) | HDAC6ALDH1A1DAO | |
| SCHEMBL26983472 | 0.75 | HDAC6 (0.54) | HDAC6KDM1AALDH1A1TSHRPRMT5 | |
| SCHEMBL8560665 | 0.75 | ALDH1A1 (0.50) | HDAC6ALDH1A1MEN1KMT2ADAO |
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 |