Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PRMT5 | O14744 | 4/20 | 0.41 |
| ▸ | WDR77 | Q9BQA1 | 4/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086350 | 0.82 | MAPT (0.48) | ALDH1A1HDAC6RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL19086022 | 0.81 | RAB9A (0.56) | ALDH1A1POLBPKMHDAC6RAB9A | |
| SCHEMBL19086320 | 0.79 | KDM4E (0.56) | ALDH1A1POLBRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL19086996 | 0.79 | NPC1 (0.45) | ALDH1A1HDAC6RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL19087009 | 0.77 | ALDH1A1 (0.49) | ALDH1A1POLBHDAC6RAB9ASMN1; SMN2 | |
| SCHEMBL19086247 | 0.75 | L3MBTL1 (0.48) | ALDH1A1POLBRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL19086028 | 0.75 | ALDH1A1 (0.47) | ALDH1A1HDAC6SMN1; SMN2KDM4EPRMT5 | |
| SCHEMBL19087008 | 0.74 | PRMT5 (0.41) | ALDH1A1HDAC6RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL14917694 | 0.73 | ALDH1A1 (0.97) | ALDH1A1POLBPKMRAB9ASMN1; SMN2 | |
| SCHEMBL21428365 | 0.72 | PDE4D (0.44) | HDAC6RAB9ASMN1; SMN2NPC1PDE4D |
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 |