Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | G6PD | P11413 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.41 |
| ▸ | POLB | P06746 | 8/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.39 |
| ▸ | MEN1 | O00255 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HTT | P42858 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | MITF | O75030 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28427507 | 1.00 | NPC1 (0.42) | NPC1RAB9ATDP1HSP90AA1G6PD | |
| SCHEMBL28424936 | 0.85 | KMT2A (0.44) | NPC1RAB9ATDP1HSP90AA1G6PD | |
| SCHEMBL28424937 | 0.85 | KMT2A (0.44) | NPC1RAB9ATDP1HSP90AA1G6PD | |
| SCHEMBL28425422 | 0.76 | NQO2 (0.54) | NPC1RAB9ATDP1HSP90AA1G6PD | |
| SCHEMBL28425425 | 0.76 | NQO2 (0.54) | NPC1RAB9ATDP1HSP90AA1G6PD | |
| SCHEMBL28433245 | 0.72 | KMT2A (0.57) | NPC1RAB9ATDP1HSP90AA1ATM | |
| SCHEMBL28433244 | 0.72 | KMT2A (0.57) | NPC1RAB9ATDP1HSP90AA1ATM | |
| SCHEMBL28433359 | 0.71 | KMT2A (0.61) | NPC1RAB9ATDP1HSP90AA1KMT2A | |
| SCHEMBL28433360 | 0.71 | KMT2A (0.61) | NPC1RAB9ATDP1HSP90AA1KMT2A | |
| SCHEMBL5686880 | 0.69 | PTGS2 (0.60) | NPC1RAB9ATDP1HSP90AA1G6PD |
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-106117188-B | Compounds for the treatment of cancer | 台北科技大学 | 2020-07-17 | — | — | CN | disclosed |