Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.72 |
| ▸ | RAB9A | P51151 | 5/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.72 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.72 |
| ▸ | TSHR | P16473 | 2/20 | 0.72 |
| ▸ | TP53 | P04637 | 1/20 | 0.72 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.72 |
| ▸ | PTPRC | P08575 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.65 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.65 |
| ▸ | APAF1 | O14727 | 1/20 | 0.65 |
| ▸ | TDP2 | O95551 | 1/20 | 0.65 |
| ▸ | NSD2 | O96028 | 1/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | CTSL | P07711 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL9509522 | 0.91 | NPC1 (0.66) | NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL40960 | 0.85 | NPC1 (1.00) | NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL21573719 | 0.85 | NPC1 (0.55) | NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1 | |
| Anthraquinone SCHEMBL23363689 | 0.85 | NPC1 (1.00) | NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL31290097 | 0.85 | NPC1 (1.00) | NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL31615519 | 0.83 | NPC1 (0.95) | NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1 | |
| Benzene SCHEMBL28832927 | 0.83 | NPC1 (0.95) | NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL760965 | 0.83 | NPC1 (0.95) | NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL30482647 | 0.83 | NPC1 (0.95) | NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL28314830 | 0.81 | MAOA (0.55) | NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1 |
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-110092389-A | A kind of tourmaline of surface grafting anthraquinone compounds, preparation method and application | 厦门理工学院 | 2019-08-06 | — | — | CN | disclosed |