Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.81 |
| ▸ | RAB9A | P51151 | 10/20 | 0.81 |
| ▸ | GAA | P10253 | 5/20 | 0.81 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.81 |
| ▸ | PKM | P14618 | 2/20 | 0.81 |
| ▸ | AGTR1 | P30556 | 7/20 | 0.61 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | MITF | O75030 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29411650 | 0.86 | NPC1 (0.68) | NPC1RAB9AGAASMN1; SMN2PKM | |
| SCHEMBL12720817 | 0.83 | NPC1 (0.76) | NPC1RAB9AGAASMN1; SMN2PKM | |
| SCHEMBL9768809 | 0.77 | LMNA (0.69) | NPC1RAB9AGAASMN1; SMN2PKM | |
| SCHEMBL9768802 | 0.77 | LMNA (0.69) | NPC1RAB9AGAASMN1; SMN2PKM | |
| SCHEMBL12720839 | 0.76 | NPC1 (0.70) | NPC1RAB9AGAASMN1; SMN2PKM | |
| SCHEMBL29378716 | 0.76 | NPC1 (0.63) | NPC1RAB9AGAASMN1; SMN2PKM | |
| SCHEMBL5526339 | 0.76 | NPC1 (0.63) | NPC1RAB9AGAASMN1; SMN2PKM | |
| SCHEMBL30826082 | 0.76 | AGTR1 (1.00) | NPC1RAB9AGAASMN1; SMN2PKM | |
| SCHEMBL15882844 | 0.76 | AGTR1 (1.00) | NPC1RAB9AGAASMN1; SMN2PKM | |
| SCHEMBL12218079 | 0.76 | AGTR1 (1.00) | NPC1RAB9AGAASMN1; SMN2PKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106008591-B | A kind of synthesis of complex, sign and active anticancer assay method | 韶关学院 | 2017-11-07 | — | — | CN | disclosed |
| CN-106008591-A | Synthesis, characterization and anticancer activity determination method of coordination compound | 韶关学院 | 2016-10-12 | — | — | CN | disclosed |