Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 3/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7409876 | 0.85 | HTR1A (0.44) | NPC1ASH1LPARP1KDM4EHSD17B10 | |
| SCHEMBL20771361 | 0.81 | NPC1 (0.58) | NPC1ASH1LKIF11PARP1NR4A2 | |
| SCHEMBL2493105 | 0.77 | NPC1 (0.64) | NPC1ASH1LKIF11PARP1NR4A2 | |
| SCHEMBL30697204 | 0.77 | NPC1 (0.64) | NPC1ASH1LKIF11PARP1NR4A2 | |
| SCHEMBL6418495 | 0.77 | NR4A2 (0.72) | NPC1ASH1LKIF11PARP1NR4A2 | |
| SCHEMBL1553838 | 0.77 | NPC1 (0.63) | NPC1ASH1LKIF11PARP1NR4A2 | |
| SCHEMBL30159619 | 0.77 | NPC1 (0.63) | NPC1ASH1LKIF11PARP1NR4A2 | |
| SCHEMBL20266992 | 0.77 | NPC1 (0.56) | NPC1ASH1LKIF11PARP1NR4A2 | |
| SCHEMBL4780495 | 0.76 | NPC1 (0.66) | NPC1ASH1LKIF11PARP1NR4A2 | |
| SCHEMBL146334 | 0.76 | NPC1 (0.62) | NPC1ASH1LKIF11PARP1NR4A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108718526-A | The crystalline modification and preparation method of (3Z) -3- { [(4- { methyl [(4- methylpiperazine-1-yls) acetyl group] amino } phenyl) amino] (phenyl) methylene } -2- oxo -2,3- dihydro -1H- methyl indole-6-carboxylate salt | 赞蒂瓦有限合伙公司 | 2018-10-30 | — | — | CN | disclosed |