Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086008 | 0.91 | KDM1A (0.42) | KDM1AALDH1A1HPGDPRMT5WDR77 | |
| SCHEMBL19086244 | 0.88 | HCRTR2 (0.39) | KDM1AKDM4ESMN1; SMN2RAB9AHCRTR2 | |
| SCHEMBL19086261 | 0.84 | PRMT5 (0.41) | KDM1AKDM4EALDH1A1PRMT5WDR77 | |
| SCHEMBL19086987 | 0.84 | KDM1A (0.38) | KDM1AKDM4EHCRTR2HCRTR1MAPT | |
| SCHEMBL19086213 | 0.83 | KDM1A (0.40) | KDM1ASMN1; SMN2RAB9AHCRTR2ALDH1A1 | |
| SCHEMBL19086335 | 0.83 | HDAC6 (0.39) | HCRTR2PRMT5WDR77HDAC6 | |
| SCHEMBL19085982 | 0.83 | KDM4E (0.39) | KDM1AKDM4ESMN1; SMN2RAB9AHCRTR2 | |
| SCHEMBL19086211 | 0.82 | PRMT5 (0.42) | KDM1AKDM4ESMN1; SMN2HCRTR2HCRTR1 | |
| SCHEMBL19086982 | 0.81 | KDM1A (0.37) | KDM1AHCRTR2HCRTR1PRMT5WDR77 | |
| SCHEMBL19087006 | 0.81 | PRMT5 (0.38) | KDM1AHCRTR2HCRTR1PRMT5WDR77 |
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 |