Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | PRMT5 | O14744 | 6/20 | 0.47 |
| ▸ | WDR77 | Q9BQA1 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL19086320 | 0.90 | KDM4E (0.56) | ALDH1A1KDM4EPRMT5WDR77SMN1; SMN2 | |
| SCHEMBL19087008 | 0.84 | PRMT5 (0.41) | ALDH1A1KDM4EPRMT5WDR77SMN1; SMN2 | |
| SCHEMBL19086028 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KDM4EPRMT5WDR77SMN1; SMN2 | |
| SCHEMBL19086231 | 0.77 | ALDH1A1 (0.56) | ALDH1A1KDM4EPRMT5WDR77SMN1; SMN2 | |
| SCHEMBL19086350 | 0.75 | MAPT (0.48) | ALDH1A1KDM4EPRMT5WDR77SMN1; SMN2 | |
| SCHEMBL19086022 | 0.72 | RAB9A (0.56) | ALDH1A1KDM4EPRMT5WDR77SMN1; SMN2 | |
| SCHEMBL19086996 | 0.68 | NPC1 (0.45) | ALDH1A1PRMT5WDR77SMN1; SMN2RAB9A | |
| SCHEMBL19086247 | 0.67 | L3MBTL1 (0.48) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL6702248 | 0.66 | MMP13 (0.43) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL7797683 | 0.66 | KMT2A (0.60) | ALDH1A1KDM4EPRMT5WDR77SMN1; SMN2 |
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 |