Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 5/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.38 |
| ▸ | FPR2 | P25090 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.37 |
| ▸ | WDR77 | Q9BQA1 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19085998 | 0.90 | PRMT5 (0.39) | NPC1RAB9ASMN1; SMN2HPGDPRMT5 | |
| SCHEMBL19085981 | 0.87 | TRPV1 (0.41) | HCRTR2NPC1RAB9APRMT5WDR77 | |
| SCHEMBL19085999 | 0.87 | TRPV1 (0.41) | HCRTR2NPC1RAB9APRMT5WDR77 | |
| SCHEMBL19086210 | 0.86 | KDM1A (0.40) | NPC1RAB9APOLBKDM4EALDH1A1 | |
| SCHEMBL19085975 | 0.84 | PRMT5 (0.37) | HCRTR2HCRTR1PRMT5WDR77 | |
| SCHEMBL19085990 | 0.83 | BRAF (0.40) | HCRTR2HCRTR1PRMT5WDR77SMO | |
| SCHEMBL19085977 | 0.80 | NPC1 (0.45) | NPC1RAB9AKDM4EMAPTPRMT5 | |
| SCHEMBL19086256 | 0.80 | NPC1 (0.41) | NPC1RAB9APRMT5WDR77MAOA | |
| SCHEMBL19085989 | 0.80 | MAOB (0.41) | NPC1RAB9AMAOAMAOB | |
| SCHEMBL19085978 | 0.80 | ROCK2 (0.46) | NPC1RAB9APRMT5WDR77MAOA |
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 |