Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19085982 | 0.86 | KDM4E (0.39) | KDM1ASMN1; SMN2KDM4ERAB9AMAOB | |
| SCHEMBL19086223 | 0.85 | METTL3 (0.43) | KDM1AHDAC6KDM4EMAOBALDH1A1 | |
| SCHEMBL19086000 | 0.85 | KDM4E (0.39) | KDM1AHDAC6SMN1; SMN2KDM4ERAB9A | |
| SCHEMBL19086026 | 0.84 | METTL3 (0.44) | KDM1AHDAC6SMN1; SMN2MAOBALDH1A1 | |
| SCHEMBL19086183 | 0.82 | KDM1A (0.40) | KDM1AHDAC6RAB9AMAOBL3MBTL1 | |
| SCHEMBL19086024 | 0.81 | MAOB (0.43) | KDM1AHDAC6KDM4EMAOBALDH1A1 | |
| SCHEMBL19086214 | 0.80 | METTL3 (0.48) | SMN1; SMN2MAOBALDH1A1HTTL3MBTL1 | |
| SCHEMBL19086230 | 0.80 | MAOB (0.44) | MAOBMAOA | |
| SCHEMBL19086190 | 0.80 | ROCK2 (0.48) | KDM1AHDAC6 | |
| SCHEMBL19086259 | 0.79 | METTL3 (0.42) | KDM1AHDAC6SMN1; SMN2MAOBHTT |
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 |