Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.69 |
| ▸ | RAB9A | P51151 | 9/20 | 0.69 |
| ▸ | TP53 | P04637 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MITF | O75030 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29410009 | 0.89 | NPC1 (0.61) | NPC1RAB9ATP53ALDH1A1MITF | |
| SCHEMBL6680571 | 0.83 | NPC1 (0.72) | NPC1RAB9ATP53ALDH1A1KDM4E | |
| SCHEMBL28322058 | 0.82 | NPC1 (0.92) | NPC1RAB9ATP53ALDH1A1MITF | |
| SCHEMBL4125159 | 0.81 | NPC1 (0.69) | NPC1RAB9ATP53ALDH1A1KDM4E | |
| SCHEMBL13871684 | 0.81 | NPC1 (0.69) | NPC1RAB9ATP53ALDH1A1KDM4E | |
| SCHEMBL22234018 | 0.80 | KIF11 (0.52) | NPC1RAB9AADORA2AADORA1KIF11 | |
| SCHEMBL27375500 | 0.79 | NPC1 (0.62) | NPC1RAB9ATP53ALDH1A1MITF | |
| SCHEMBL6049121 | 0.78 | NPC1 (0.60) | NPC1RAB9ATP53ALDH1A1MITF | |
| SCHEMBL30885597 | 0.78 | NPC1 (0.60) | NPC1RAB9ATP53ALDH1A1MITF | |
| SCHEMBL20100122 | 0.78 | NPC1 (0.60) | NPC1RAB9ATP53ALDH1A1MITF |
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-110520413-A | Big ring broad-spectrum antibiotic | RQX PHARMACEUTICALS INC | 2019-11-29 | — | — | CN | disclosed |